百晓学者学者目录

齐悦

武汉大学

精选作品

期刊论文

2026

( Invited ) Modeling of the Negative Electrodes and Electrode/Electrolyte Interfaces for Sodium Batteries

Yue Qi, Lincoln Mtemeri, Nikita S. Redkar, Xi Tan

ECS Meeting Abstracts

DOI

2026

Li-/Na-/K-Dependent Nanopore Filling Pathways Determine Storage Mechanism, Capacity and Voltage in Hard Carbon

Lincoln Mtemeri, Yue Qi

ECS Meeting Abstracts

DOI

2026

(Invited) Effect of Composition on Extreme Anharmonicity of Chemical Bonds in Zr-Doped Ceria

A. I. Frenkel, Yue Qi, D. Ehre, Ellen Wachtel, P. Yudin, I. Lubomirsky

ECS Meeting Abstracts

DOI

2026

Applicability of the small anharmonicity approximation to electrostriction in Zr-doped ceria.

Maxim Varenik, Tali Pechersky-Savich, S. Khodorov, Erik Gor, Ellen Wachtel, D. Ehre, A. I. Frenkel, Yue Qi, P. Yudin, I. Lubomirsky

Physical Chemistry, Chemical Physics - PCCP

DOI

2026

Modeling Single-Crystal Battery Materials: From Fundamental Understanding to Performance Evaluation.

Suyue Yuan, Stephen E. Weitzner, Wonseok Jeong, Shen-Li Zhang, Bo Wang, Longsheng Feng, J. Kaufman, Kwangnam Kim, Yue Qi, L. Wan

Chemical Reviews

DOI

2026

Heterogeneous doping via nanoscale coating impacts the mechanics of Li intrusion in brittle solid electrolytes.

Xin Xu, Teng Cui, Geoff McConohy, Harsh D. Jagad, S. S. Lee, Sunny Wang, Celeste Melamed, Yufei Yang, Edward Barks, Emma Kaeli, L. Narun, Yi Cui, Zewen Zhang, H. Lee, Rong Xu, Melody M. Wang, Levi Hoogendoorn, A. Romana, Alexis Geslin, Robert Sinclair, Yi Cui, Yue Qi, X. W. Gu, William C. Chueh

Nature Materials

DOI

2026

Critical Length Scales to Inhibit Dendritic Fracture in Ion‐Exchanged LLZTO

Sydney Morris, Chen-Jie Gan, Harsh D. Jagad, Matthew Fang, Umucyo Piete Parfaite Gatesi, Stephen J. Harris, Changmin Shi, Yue Qi, Brian W. Sheldon

Advanced Energy Materials

DOI

2026

Incorporating the Effect of the Electric Double Layer (EDL) in Multicomponent Electrolytes on Electrochemical Reactions

Yue Qi

ECS Meeting Abstracts

DOI

2026

Oxygen Vacancy Evolution at Li x V2O5/LiPON Solid State Electrochemical Interfaces Using Depth Resolved Cathodoluminescence Spectroscopy

D. Halbing, Gregory Pustorino, Leopoldo Tapia-Aracayo, D. Stewart, Yue Qi, Leonard J. Brillson

ACS Applied Materials and Interfaces

DOI

2026

The Charge Neutral Species in the Electrical Double Layer: No Longer a Background

Yue Qi, Xi Tan, Chaoxuan Gu

The Electrochemical Society Interface

DOI

2026

Salt Diffusivity in a Cu-Cellulose Nanofiber Based, Multi-Component Electrolyte Assessed Using Restricted Diffusion, Molecular Dynamics, and Nuclear Magnetic Resonance

K. Duncan, Qi-Sheng Wu, Mounesha N. Garaga, M. McKee, Lin Xu, Xueying Zheng, Aysha Siddika Asha, Yue Qi, Steve G. Greenbaum, Liangbing Hu, Paul Albertus

Journal of the Electrochemical Society

DOI

2025

Systematically Formulating Investments for Carbon Offset by Multiple-Objective Portfolio Selection: Classifying, Evolving, and Optimizing

Long Lin, Yue Qi

Systems，Vol. 13, No. 6

DOI

2025

An analytical derivation of properly efficient sets in multi-objective portfolio selection

Yue Qi, Ralph E. Steuer

Annals Of Operations Research，Vol. 3460, No. 2

DOI

2025

Digital Finance and Household Consumption Insurance: The Bounded Inclusive Effect

Qi Yue, Mu Tong, Zhongyi Yang

Emerging Markets Finance And Trade

DOI

2025

Multi-position two-phase person-position matching decision-making with intermediary participation

Qi Yue, Shijie Huang, Bin Hu, Yuan Tao

Expert Systems With Applications，Vol. 259

DOI

2025

Revealing Heterogeneous Electric Double Layer (EDL) Structures of Localized High-Concentration Electrolytes (LHCE) and Their Impact on Solid-Electrolyte Interphase (SEI) Formation in Lithium Batteries

Qi-Sheng Wu, Yue Qi

Energy & Environmental Science

DOI

2025

Theory of Cation Solvation in the Helmholtz Layer of Li-Ion Battery Electrolytes

Z. Goodwin, Daniel M. Markiewitz, Qi-Sheng Wu, Yue Qi, M. Bazant

ACS Applied Energy Materials

DOI

2025

Structural Descriptors Controlling Pore-Filling Mechanism in Hard Carbon Electrode During Sodiation

Lincoln Mtemeri, Yue Qi

EES Batteries

DOI

2025

Multiscale Predictive Modeling for the Design of Ion Exchange Process to Mitigate Li Filament Penetration in Solid-State Electrolytes

Yue Qi, Harsh D. Jagad, Stephen J. Harris, Brian W. Sheldon

ECS Meeting Abstracts

DOI

2025

A Hybrid Intercalation and Conversion Mechanism for Reversible Lithium Storage in Layered Silicane (SiH) with Low Molar Volume Change

Wenzao Li, J. Cain, N. Pieczonka, Zhongyi Liu, Sayed Youssef Sayed, Yue Qi

ACS Energy Letters

DOI

2025

Experimentally Validated Introduction of Compressive Stress and Improved Electrochemical Performance in Li+/Ag+ Ion-Exchanged LLZTO

Sydney Morris, Harsh D. Jagad, Yue Qi, Brian W. Sheldon, Stephen J. Harris

ECS Meeting Abstracts

DOI

2025

Elastic dipole alignment is the origin of anelasticity and electrostriction in aliovalent-doped ceria

Anna Lavie, Boyuan Xu, S. Khodorov, Harishchandra Singh, Jing-He Liu, Tal-El Hajbi, Ellen Wachtel, Yishay Feldman, D. Ehre, D. Donetsky, A. I. Frenkel, Yue Qi, I. Lubomirsky

Acta Materialia

DOI

2025

Quantifying Space-Charge Layer Formation and Potential Drops at LiPON/Li x V 2 O 5 Electrochemical Interfaces Based on First-Principles Calculations

Gregory Pustorino, Leopoldo Jose Tapia-Aracayo, D. Halbing, Leonard J. Brillson, D. Stewart, Yue Qi

ECS Meeting Abstracts

DOI

2025

Improved Electrochemical Performance and Introduction of Residual Compressive Stress in Li <sup>+</sup> /Ag <sup>+</sup> Ion-Exchanged Li <sub>6.5</sub> La <sub

Sydney Morris, Harsh D. Jagad, Chen-Jie Gan, Stephen J. Harris, Changmin Shi, Yue Qi, Brian W. Sheldon

ECS Meeting Abstracts

DOI

2025

Electrosynthesis of Agrochemicals via Alternating-Current-Driven Selective, Continuous Dehalogenation.

D. D. Mal, Nikita S. Redkar, Kai-Da Liu, Hyoju Park, E. Kennedy, Sungin Kim, Wen-Qi Li, Yao Yang, Yue Qi, Matthew Neurock, Long Luo

Journal of the American Chemical Society

DOI

2025

Representative Nanopore Structures to Simulate Sodiation Mechanisms in Hard Carbon Electrodes for Sodium-Ion Batteries

Lincoln Mtemeri, Yue Qi

ECS Meeting Abstracts

DOI

2025

The Role of Ag-Electrode Surface Steps on Picloram Reduction Reactions

Nikita S. Redkar, D. D. Mal, Dwaipayan Chakraborty, Kai-Da Liu, Matthew Neurock, Long Luo, Yue Qi

ECS Meeting Abstracts

DOI

2025

Ion Size Effects on the Thermodynamic, Kinetic, and Mechanical Properties during Ion Exchange in Solid-State Electrolytes

Harsh D. Jagad, Stephen J. Harris, Brian W. Sheldon, Yue Qi

Chemistry of Materials

DOI

2025

Grain boundary zirconia-modified garnet solid-state electrolyte

Vikalp Raj, Yixian Wang, Min Feng, K. Naik, M. Jain, B. Vishnugopi, Shimao Deng, Noah B. Schorr, Martin Salazar, Alexander Heusser, Xiao-Jing Huang, Andrew Scott Manning, S. Kalnaus, Yi-Jin Liu, John Watt, Josefine D. McBrayer, B. Boyce, Hong Fang, Puru Jena, Partha P. Mukherjee, Yue Qi, David Mitlin

Nature Materials

DOI

2025

Imaging the evolution of lithium-solid electrolyte interface using operando scanning electron microscopy

Lihong Zhao, Min Feng, Chaoshan Wu, Li-Qun Guo, Zhaoyang Chen, S. Risal, Qing Ai, Jun Lou, Zheng Fan, Yue Qi, Yan Yao

Nature Communications

DOI

2025

(Invited) Incorporating the Effect of Electric Double Layer (EDL) and Solid Electrolyte Interphase (SEI) Formation in Lithium-Ion Batteries with Machine Learning Accelerated Workflow

Yue Qi, Md Jamil Hossain, Tilas Kabengele, Qi-Sheng Wu

ECS Meeting Abstracts

DOI

2025

Ion-Driven Dynamics of Charge-Neutral Species in the Electrical Double Layer: Insights from Alternating and Constant Polarity Simulations

Chaoxuan Gu, Kai-Da Liu, Andrew D. Pendergast, Yuuki Kawamata, P. S. Baran, Matthew Neurock, Yue Qi

ACS Electrochemistry

DOI

2025

Reaction-Induced Stress at Argyrodite Sulfide/Li-Metal Interface—Tension or Compression?

Changmin Shi, Pradeep R. Guduru, Yue Qi, Yan Yao, Jun Lou, Siyuan Song, Akshay Pakhare, Gregory Pustorino, Qing Ai, Cristina López-Pernía, Lihong Zhao, Brian W. Sheldon

ECS Meeting Abstracts

DOI

2025

Atomistically-Informed Continuum Model for Rapid Alternating Polarity Electrochemical Synthesis

Chaoxuan Gu, Yue Qi

ECS Meeting Abstracts

DOI

2024

Disclosure frequency of parent company financial reporting: Insights from analyst forecasting accuracy

Junsheng Zhang, Xuefeng Jing, Yue Qi

Accounting And Finance，Vol. 640, No. 40

DOI

2024

Manufacturer encroachment and extended warranty provision

Yue Qi, Taofeng Ye, Guoqing Zhang

Rairo-Operations Research，Vol. 58, No. 6

DOI

2024

Study on the Selection of Recycling Strategies for the Echelon Utilization of Electric Vehicle Batteries under the Carbon Trading Policy

Yue Qi, Weixin Yao, Jiagui Zhu

Sustainability，Vol. 16, No. 17

DOI

2024

Fermatean fuzzy multi-attribute personnel-position matching group decision-making with unknown weight information

Qi Yue, Jialin Ren, Bin Hu, Yuan Tao

Expert Systems With Applications，Vol. 237

DOI

2024

Computing cardinality constrained portfolio selection efficient frontiers via closest correlation matrices

Ralph E. Steuer, Yue Qi, Maximilian Wimmer

European Journal Of Operational Research，Vol. 313, No. 2

DOI

2024

连带赔偿责任、诉讼前置条件与审计质量

郑巧，张俊生，齐悦

《会计研究》，No. 9

下载原文

2024

Lithium-Ion Battery Functionality over Broad Operating Conditions via Local High Concentration Fluorinated Ester Electrolytes

Calvin D. Quilty, Edelmy J. Marin-Bernardez, Andrew Nicoll, Md Jamil Hossain, Arun Kingan, D. Arnot, H. Mohamed, Ciara O'connor, Xiao Tong, C. Jaye, Daniel A. Fischer, Lei Wang, Yue Qi, E. Takeuchi, A. Marschilok, Shan Yan, D. Bock, K. Takeuchi

RSC Applied Interfaces

DOI

2024

Ag+/Li+ Ion-Exchange in LLZTO to Introduce Surface Layer Compressive Stress and Improve Electrochemical Performance

Sydney Morris, Harsh D. Jagad, Stephen J. Harris, Changmin Shi, Yue Qi, Brian W. Sheldon

ECS Meeting Abstracts

DOI

2024

Correlated Displacement of Dynamic Elastic Dipoles Produces Nonclassical Electrostriction in Zr-Doped Ceria

Tali Pechersky-Savich, Boyuan Xu, Maxim Varenik, Junying Li, Ellen Wachtel, D. Ehre, Prahlad K. Routh, Nicholas Marcella, A. I. Frenkel, Yue Qi, I. Lubomirsky

Chemistry of Materials

DOI

2024

Residual Compressive Stress to Prevent Dendrite Penetration through Solid Electrolytes

Stephen J. Harris, Sydney Morris, Harsh D. Jagad, Yue Qi, Brian W. Sheldon

ECS Meeting Abstracts

DOI

2024

From the Passivation Layer on Aluminum to Lithium Anode in Batteries

Yue Qi, Jialin Liu, Min Feng, Karnpiwat Tantratian, Lei Chen, Xingcheng Xiao, A. Sachdev

Metallurgical and Materials Transactions. A

DOI

2024

(Invited) Large Electromechanical Coupling in Zr-Doped Ceria

Maxim Varenik, Boyuan Xu, Tali Pechersky-Savich, Junying Li, Ellen Wachtel, D. Ehre, Prahlad K. Routh, S. Khodorov, I. Lubomirsky, A. I. Frenkel, Yue Qi

ECS Meeting Abstracts

DOI

2024

Local Ordering, Distortion, and Redox Activity in (La0.75Sr0.25)(Mn0.25Fe0.25Co0.25Al0.25)O3 Investigated by a Computational Workflow for Compositionally Complex Perovskite Oxides

Boyuan Xu, Jiyun Park, Dawei Zhang, Héctor A. De Santiago, Wei Li, Xing-Bo Liu, Jianping Luo, Stephan Lany, Yue Qi

Chemistry of Materials

DOI

2024

Mechanical and Electronic Properties of Bulk and Surface Li6PS5Cl Argyrodite: First-Principles Insights on Li-Filament Resistance

Gregory Pustorino, Harsh D. Jagad, Wenzao Li, Min Feng, Matteo R. S. Poma, Jeonghyun Ko, Priya Johari, Yue Qi

Chemistry of Materials

DOI

2024

A Physics-based Model Assisted by Machine-Learning for Sodium-ion Batteries with both Liquid and Solid Electrolytes

Harsh D. Jagad, Jintao Fu, William R. Fullerton, Christopher Y. Li, E. Detsi, Yue Qi

Journal of the Electrochemical Society

DOI

2024

Phase-Field Model of SEI Formation in Li-Metal Batteries

Yanzhou Ji, Kena Zhang, Qi-Sheng Wu, Yue Qi, Long-Qing Chen

ECS Meeting Abstracts

DOI

2024

(Invited) The Electrochemical-Mechanical Coupled Interface Contacts during Lithium Plating and Stripping

Yue Qi, Min Feng, Xing Liu

ECS Meeting Abstracts

DOI

2024

Assessing cathode–electrolyte interphases in batteries

Jie Xiao, N. Adelstein, Yu-Jing Bi, Wen-Juan Bian, Jordi Cabana, C. Cobb, Yi Cui, S. Dillon, M. Doeff, S. M. Islam, K. Leung, Mengya Li, Feng Lin, Jun Liu, Hong-Mei Luo, A. Marschilok, Y. Meng, Yue Qi, Ritu Sahore, Kayla G. Sprenger, R. Tenent, M. Toney, Wei Tong, Li-Wen F. Wan, Chong-Min Wang, Stephen E. Weitzner, Bingbin Wu, Yao-Bin Xu

Nature Energy

DOI

2024

(Invited) Modeling of the Electric Double Layer (EDL) Structures of Localized High-Concentration Electrolytes (LHCE)

Yue Qi, Qi-Sheng Wu, Md Jamil Hossain

ECS Meeting Abstracts

DOI

2023

Risk-preparedness mechanism and audit quality: Evidence from mandatory increase of professional indemnity insurance and professional risk fund

Yue Qi, Qingbo Yuan

China Journal Of Accounting Research，Vol. 16, No. 1

DOI

2023

Research on Time to Market and Pricing of Platform Products in a Competitive Environment

Lei Zhou, Yue Qi, Xinshang You

Sustainability，Vol. 15, No. 7

DOI

2023

Structure and Dynamics of the Electrical Double Layer during the Rapid Alternating Polarity Electro-Synthesis

Chaoxuan Gu, Yue Qi

ECS Meeting Abstracts

DOI

2023

Designing Localized High Concentration Electrolytes Based on Fluorinated Solvents for Lithium-Ion Batteries

Md Jamil Hossain, Qi-Sheng Wu, D. Bock, A. Marschilok, K. Takeuchi, E. Takeuchi, Yue Qi

ECS Meeting Abstracts

DOI

2023

Understanding Solvation Structures of Localized High-Concentration Electrolytes Used for Li-Metal Batteries

Corey M. Efaw, Qi-Sheng Wu, N. Gao, Hao-Yu Zhu, K. Gering, M. Hurley, C. Xiong, Eric J. Dufek, Yue Qi, Bin Li

ECS Meeting Abstracts

DOI

2023

Interface potentials inside solid-state batteries: Origins and implications

Yue Qi, M. Swift, E. Fuller, A. Talin

MRS bulletin

DOI

2023

(Invited) Modeling of the Bulk and Electrical Double-Layer Structures of Localized High-Concentration Electrolytes

Qi-Sheng Wu, Corey M. Efaw, Bin Li, Yue Qi

ECS Meeting Abstracts

DOI

2023

(Invited) Modeling of the Electric Double Layer (EDL) at Li/SEI/Electrolyte Interfaces

Yue Qi

ECS Meeting Abstracts

DOI

2023

A Diffuse-Interface Description of Electron Tunneling across Solid Electrolyte Interphases

Yanzhou Ji, Seyed Amin Nabavizadeh, Qi-Sheng Wu, Yue Qi, Long-Qing Chen

ECS Meeting Abstracts

DOI

2023

Measuring is believing

Yue Qi

Nature Energy

DOI

2023

Lead-free Zr-doped ceria ceramics with low permittivity displaying giant electrostriction

Maxim Varenik, Boyuan Xu, Junying Li, Elad Gaver, E. Wachtel, D. Ehre, Prahlad K. Routh, S. Khodorov, A. Frenkel, Yue Qi, I. Lubomirsky

Nature Communications

DOI

2023

Tailoring Ag Electron Donating Ability for Organohalide Reduction: A Bilayer Electrode Design.

Ali Abbaspourtamijani, Dwaipayan Chakraborty, H. White, Matthew Neurock, Yue Qi

Langmuir

DOI

2023

(Invited) Modeling the Charge Transfer Reactions at Li/SEI/Electrolyte Interfaces in Lithium-Ion Batteries

Yue Qi

ECS Meeting Abstracts

DOI

2023

Localized high-concentration electrolytes get more localized through micelle-like structures

Corey M. Efaw, Qi-Sheng Wu, Ningshengjie Gao, Yu-Gang Zhang, Hao-Yu Zhu, K. Gering, M. Hurley, Huifang Xiong, E. Hu, Xia Cao, Wuhua Xu, Ji-Guang Zhang, Eric J. Dufek, Jie Xiao, Xiao-Qing Yang, Jun Liu, Yue Qi, Bin Li

Nature Materials

DOI

2022

Bilateral matching decision-making for knowledge innovation management considering matching willingness in an interval intuitionistic fuzzy set environment

Qi Yue

Journal Of Innovation & Knowledge，Vol. 7, No. 30

DOI

2022

Classifying the minimum-variance surface of multiple-objective portfolio selection for capital asset pricing models

Yue Qi

Annals Of Operations Research，Vol. 3110, No. 2

DOI

2022

Effect of acquisition type on industrial development in emerging markets: Evidence from china

Qi Yue, Ping Deng, Xing Hua, Luan Jiang

Journal Of Business Economics And Management，Vol. 230, No. 20

DOI

2021

Post-acquisition control strategy and cross-border acquisition performance of Chinese MNEs: a fsQCA approach

Qi Yue, Ping Deng, Yanyan Cao, Xing Hua

Management Decision，Vol. 590, No. 12

DOI

2021

Carbon-Nanotube-Encapsulated-Sulfur Cathodes for Lithium-Sulfur Batteries: Integrated Computational Design and Experimental Validation.

Yu-Xiao Lin, Jeremy Ticey, V. Oleshko, Yu-Jie Zhu, Xin-Sheng Zhao, Chun-Sheng Wang, J. Cumings, Yue Qi

Nano letters (Print)

DOI

2021

Maintaining a Flat Li Surface during the Li Stripping Process via Interface Design

Chi-Ta Yang, Yue Qi

DOI

2021

Redox-couple investigations in Si-doped Li-rich cathode materials.

L. Nation, Yan Wu, Xiao-Ming Liu, M. Chi, Yu-Qin Wu, Yue Qi, B. Sheldon

Physical Chemistry, Chemical Physics - PCCP

DOI

2021

Impact of Electronic Properties of Grain Boundaries on the Solid Electrolyte Interphases (SEIs) in Li-ion Batteries

Min Feng, Jie Pan, Yue Qi

Journal of Physical Chemistry C

DOI

2021

Dendrite-free Lithium Based on Lessons Learned from Lithium and Magnesium Electrodeposition Morphology Simulations

Zhe Liu, Yunsong Li, Yanzhou Ji, Qing-Lin Zhang, Xing-Cheng Xiao, Yan Yao, Long-Qing Chen, Yue Qi

DOI

2020

Parametrically computing efficient frontiers of portfolio selection and reporting and utilizing the piecewise-segment structure

Yue Qi

Journal Of The Operational Research Society，Vol. 710, No. 100

DOI

2020

On Imposing ESG Constraints of Portfolio Selection for Sustainable Investment and Comparing the Efficient Frontiers in the Weight Space

Yue Qi, Xiaolin Li

Sage Open，Vol. 10, No. 4

DOI

2020

On the analytical derivation of efficient sets in quad-and-higher criterion portfolio selection

Yue Qi, Ralph E. Steuer

Annals Of Operations Research，Vol. 2930, No. 2

DOI

2020

Multi-Scale Modeling of Void Evolution at Li/SEI Interface during Delithiation

Chi-Ta Yang, Yue Qi

DOI

2020

Evaluation of The Electrochemo-Mechanically Induced Stress in All-Solid-State Li-Ion Batteries

H. Tian, A. Chakraborty, A. Talin, P. Eisenlohr, Yue Qi

DOI

2020

Interfacial Potentials in a Thin Film All-Solid-State Li-Ion Battery Probed By in Operando KPFM

E. Strelcov, E. Fuller, Jamie L. Weaver, M. Swift, A. Kolmakov, N. Zhitenev, Yue Qi, J. McClelland, J. Dura, A. Talin

DOI

2020

The Bonding Nature and Adhesion of Li and Polyacrylic Acid (PAA) Coating for Li Dendrite Prevention

Chi-Ta Yang, Yu-Xiao Lin, Yue Qi

DOI

2020

High-Performance Polymer Ion Conductors Enabled by Decoupled Fast Ions in Molecular Channels

Liang-Bing Hu, Chunpeng Yang, Qi-Sheng Wu, Wei-Qi Xie, Xin Zhang, Jin Zheng, Mounesha N. Garaga, B. Ko, Yimin Mao, Alexandra H. Brozena, Shuaiming He, Jiaqi Dai, M. Tyagi, Feng Jiao, S. Greenbaum, Yan‐Yan Hu, R. Briber, A. Isogai, Kang Xu, Yue Qi

DOI

2020

Optimization of the Reax force field for the lithium-oxygen system using a high fidelity charge model.

Kurt A. O'Hearn, M. Swift, Jialin Liu, Ilias Magoulas, P. Piecuch, A. V. van Duin, H. Aktulga, Yue Qi

Journal of Chemical Physics

DOI

2020

The origin of the two-plateaued or one-plateaued open circuit voltage in Li–S batteries

Yu-Xiao Lin, Jing Zheng, Chun-Sheng Wang, Yue Qi

DOI

2020

Compositions and Formation Mechanisms of Solid-Electrolyte Interphase on Microporous Carbon/Sulfur Cathodes

Luning Wang, Yu-Xiao Lin, Samantha DeCarlo, Yi Wang, K. Leung, Yue Qi, Kang Xu, Chun-Sheng Wang, B. Eichhorn

DOI

2020

Chemical Vapor Deposition Method for Graphene Fiber Materials

Yi Cheng, Kun Wang, Yue Qi, Zhong-Fan Liu

Acta Physico Chimica Sinica

DOI

2020

A New General Paradigm for Understanding and Preventing Li Metal Penetration through Solid Electrolytes

Yue Qi, Chunmei Ban, S. Harris

DOI

2020

(Invited) of the Interfacial Electrochemo-Mechanical Effects in All-Solid-State Li-Ion Batteries

Yue Qi, Hong-Kang Tian

DOI

2020

Modeling the electrical double layer at solid-state electrochemical interfaces

M. Swift, J. Swift, Yue Qi

Nature Computational Science

DOI

2020

Reversible planar gliding and microcracking in a single-crystalline Ni-rich cathode

Yu-Jing Bi, J. Tao, Yu-Qin Wu, Lin-Ze Li, Yao-Bin Xu, E. Hu, Bing-Bin Wu, Jiang-Tao Hu, Chong-Min Wang, Ji-Guang Zhang, Yue Qi, Jie Xiao

Science

DOI

2020

Efficient Low-Temperature Cycling of Lithium Metal Anodes by Tailoring the Solid-Electrolyte Interphase

Akila C. Thenuwara, Pralav P. Shetty, Neha Kondekar, S. Sandoval, K. Cavallaro, Richard May, Chi-Ta Yang, Lauren E. Marbella, Yue Qi, M. Mcdowell

DOI

2020

Batteries Annual Progress Report (FY2019)

M. Taggougui, Madhu Thakur, C. Hayner, Michael D. Slater, Yan Wang, B. Surampudi, Ian Smith, Herman Lopez, S. Hellring, H. Costantino, D. Wood, Zhi-Jia Du, Jian-Lin Li, Ozgenur Kahvecioglu, J. Libera, Youngho Shin, Yangchuan Xing, P. Pintauro, T. Dzwiniel, B. Wood, V. Battaglia, M. Tucker, G. Ceder, V. Srinivasan, H. Iddir, Kandler A. Smith, Andrew M. Colclasure, D. Finegan, Satadru Dey, Ranjeet Rao, S. Santhanagopalan, S. Roberts, D. Abraham, Chulheung Bae, S. Allu, L. Gaines, A. Pesaran, Jeffrey S. Spangenberger, Zheng-Cheng Zhang, Eric J. Dufek, M. Keyser, F. Usseglio-Viretta, Weijie Mai, R. Brow, Jeffrey G. Allen, S. Dai, Mohan Karulkar, K. Amine, E. Takeuchi, K. Takeuchi, A. Marschilok, D. Bock, N. Balsara, Wenjuan Liu-Mattis, A. Burrell, Shabbir Ahmed, I. Bloom, David C. Robertson, Panos D. Prezas, LeRoy Flores, J. Lamb, Aron Saxon, Thomas Bethel, A. Jansen, Wenquan Lu, L. Walker, Jack Vaughey, Gao Liu, Ji-Guang Zhang, Xiaolin Li, Yi Cui, J. Croy, Feng Wang, J. Bai, J. Goodenough, Guo-Ying Chen, M. Toney, D. Strmčnik, V. Stamenković, M. Doeff, Jie Xiao, R. Tenent, R. Hendershot, J. Sunstrom, A. Falzone, T. Kodas, Y. Meng, I. Belharouak, Huo-Lin L. Xin, Feng Lin, K. Persson, Wu Xu, Jiang-bo Fan, A. Manthiram, N. Kidner, Dong-Hai Wang, Chao-Yang Wang, Nanda Jagjit, Chong-Min Wang, R. Kostecki, Xiao-Qing Yang, Seong-Min Bak, R. Prasher, Xing-Cheng Xiao, B. Sheldon, Hua-Jian Gao, Yue Qi, Yang-Tse Cheng, Qinglin Zhang, B. McCloskey, W. Chueh, D. Wheeler, Brian A. Mazzeo, Lin-Wang Wang, Long-Qing Chen, N. Dudney, E. Herbert, J. Sakamoto, X. Chen, P. Balbuena, J. Seminario, P. Mukherjee, Prashant Kumt, M. Datta, O. Velikokhatnyi, Jianchao Ye, Z. Bao, N. Wu, A. Westover, J. Nanda, F. Delnick, N. Markovic, L. Curtiss, G. Amatucci, C. Cheung, Dong-Ping Lu, J. Liu, D. Qu, A. Jen, Ji-Hui Yang, Jun Lu, Amin Salehi, A. Ngo, E. Hu, Christopher S. Johnson, S. Sofie, Tobias Glossmann

DOI

2020

Dendrite Growth Morphology Modeling in Liquid and Solid Electrolytes

Yue Qi, Long-Qing Chen, Xing-Cheng Xiao, Qing-Lin Zhang

DOI

2020

The Bonding Nature and Adhesion of Polyacrylic Acid Coating on Li-Metal for Li Dendrite Prevention.

Chi-Ta Yang, Yu-Xiao Lin, Binsong Li, Xing-Cheng Xiao, Yue Qi

ACS Applied Materials and Interfaces

DOI

2020

A Proposed General Solution for Li Dendrite Penetration into Solid Electrolytes

Yue Qi, Chunmei Ban, S. Harris

DOI

2020

Wavelet Scattering Networks for Atomistic Systems with Extrapolation of Material Properties

Paul Sinz, M. Swift, Xavier Brumwell, Jialin Liu, K. Kim, Yue Qi, Matthew J. Hirn

Journal of Chemical Physics

DOI

2020

Composition, crystallography, and oxygen vacancy ordering impacts on the oxygen ion conductivity of lanthanum strontium ferrite.

T. Das, J. Nicholas, Yue Qi

Physical Chemistry, Chemical Physics - PCCP

DOI

2019

How Transition Metals Enable Electron Transfer through the SEI: Part I. Experiments and Butler-Volmer Modeling

Oliver C. Harris, Yu-Xiao Lin, Yue Qi, K. Leung, Maureen H. Tang

Journal of the Electrochemical Society

DOI

2019

Mechanical and Electronic Stabilization of Solid Electrolyte Interphase with Sulfite Additive for Lithium Metal Batteries

Jiagang Xu, H. Tian, J. Qi, Yue Qi, Qing-Lin Zhang, Xing-Cheng Xiao

Journal of the Electrochemical Society

DOI

2019

Scalable and ultrafast epitaxial growth of single-crystal graphene wafers for electrically tunable liquid-crystal microlens arrays.

Bing Deng, Zhaowei Xin, Ruiwen Xue, Shishu Zhang, Xiaozhi Xu, Jing Gao, Jilin Tang, Yue Qi, Yani Wang, Yan Zhao, Lu-Zhao Sun, Huihui Wang, Kai-Hui Liu, M. Rümmeli, L. Weng, Z. Luo, L. Tong, Xin-Yu Zhang, Chang-Sheng Xie, Zhong-Fan Liu, Hai-Lin Peng

Science Bulletin

DOI

2019

Improved Epitaxy of AlN Film for Deep‐Ultraviolet Light‐Emitting Diodes Enabled by Graphene

Zhao-Long Chen, Zhi-Qiang Liu, Tong-Bo Wei, Shen-Yuan Yang, Zhipeng Dou, Yunyu Wang, Haina Ci, Hongliang Chang, Yue Qi, Jian-Chang Yan, Jun-Xi Wang, Yanfeng Zhang, P. Gao, Jin-Min Li, Zhong-Fan Liu

Advances in Materials

DOI

2019

High-Energy Rechargeable Metallic Lithium Battery at -70 °C Enabled by a Cosolvent Electrolyte.

Xiaoli Dong, Yu-Xiao Lin, Panlong Li, Yuan-Yuan Ma, Jianhang Huang, D. Bin, Yong-Gang Wang, Yue Qi, Yongyao Xia

Angewandte Chemie

DOI

2019

Energy landscape of the charge transfer reaction at the complex Li/SEI/electrolyte interface

Yunsong Li, Yue Qi

Energy & Environmental Science

DOI

2019

Graphene: Direct CVD Growth of Graphene on Traditional Glass: Methods and Mechanisms (Adv. Mater. 9/2019)

Zhao-Long Chen, Yue Qi, Xu-Dong Chen, Yanfeng Zhang, Zhong-Fan Liu

Advances in Materials

DOI

2019

Interfacial Electronic Properties Dictate Li Dendrite Growth in Solid Electrolytes

H. Tian, Zhe Liu, Yanzhou Ji, Long-Qing Chen, Yue Qi

Chemistry of Materials

DOI

2019

First-Principles Prediction of Potentials and Space-Charge Layers in All-Solid-State Batteries.

M. Swift, Yue Qi

Physical Review Letters

DOI

2019

Cathode porosity is a missing key parameter to optimize lithium-sulfur battery energy density

Ning Kang, Yu-Xiao Lin, Li Yang, Dong-Ping Lu, Jie Xiao, Yue Qi, Mei Cai

Nature Communications

DOI

2018

On outperforming social-screening-indexing by multiple-objective portfolio selection

Yue Qi

Annals Of Operations Research，Vol. 2670, No. 12

DOI

2018

Graphene Glass Inducing Multidomain Orientations in Cholesteric Liquid Crystal Devices toward Wide Viewing Angles.

Huihui Wang, Bing-Zhi Liu, Ling Wang, Xu-Dong Chen, Zhao-Long Chen, Yue Qi, Guang Cui, Huan-Huan Xie, Yanfeng Zhang, Zhong-Fan Liu

ACS Nano

DOI

2018

Si-doped high-energy Li_1.2Mn_0.54Ni_0.13Co_0.13O_2 cathode with improved capacity for lithium-ion batteries

L. Nation, Yan Wu, C. James, Yue Qi, B. Powell, B. Sheldon

Journal of Materials Research

DOI

2018

Steerable Wavelet Scattering for 3D Atomic Systems with Application to Li-Si Energy Prediction

Xavier Brumwell, Paul Sinz, K. Kim, Yue Qi, Matthew J. Hirn

arXiv.org

2018

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

Aiping Wang, Sanket Kadam, Hong Li, Siqi Shi, Yue Qi

npj Computational Materials

DOI

2018

Computational study of lithium nucleation tendency in Li7La3Zr2O12 (LLZO) and rational design of interlayer materials to prevent lithium dendrites

Hong-Mei Tian, Bo Xu, Yue Qi

Journal of Power Sources

DOI

2018

Fast Growth of Strain-Free AlN on Graphene-Buffered Sapphire.

Yue Qi, Yunyu Wang, Zhenqian Pang, Zhipeng Dou, Tong-Bo Wei, Peng Gao, Shishu Zhang, Xiaozhi Xu, Zhenghua Chang, Bing Deng, Shu-Lin Chen, Zhao-Long Chen, Haina Ci, Ruoyu Wang, Fuzhen Zhao, Jian-Chang Yan, X. Yi, Kai-Hui Liu, Hai-Lin Peng, Zhi-Qiang Liu, L. Tong, Jin Zhang, Yujie Wei, Jin-Min Li, Zhong-Fan Liu

Journal of the American Chemical Society

DOI

2018

Nanoscale Protection Layers To Mitigate Degradation in High-Energy Electrochemical Energy Storage Systems.

Chuan-Fu Lin, Yue Qi, K. Gregorczyk, Sang-Bok Lee, G. Rubloff

Accounts of Chemical Research

DOI

2018

(Invited) Computing the Anisotropic Chemical Strain in Non-Stoichiometric Oxides for Solid Oxide Fuel Cell and Li-Ion Battery Applications

Yue Qi, C. James, T. Das, J. Nicholas, L. Nation, B. Sheldon

ECS Meeting Abstracts

DOI

2018

Comparison of the Interfacial Reaction Kinetics and Plating Morphology of Lithium and Magnesium Anodes

Yue Qi

DOI

2018

(Invited) Computational Insights to the Charge Transfer Reaction at the Complex Li/SEI/Electrolyte Interface

Yue Qi

DOI

2018

From Microparticles to Nanowires and Back: Radical Transformations in Plated Li Metal Morphology Revealed via in Situ Scanning Electron Microscopy.

Alexander Yulaev, V. Oleshko, P. Haney, Jialin Liu, Yue Qi, A. Talin, Marina S. Leite, A. Kolmakov

Nano letters (Print)

DOI

2018

High‐Brightness Blue Light‐Emitting Diodes Enabled by a Directly Grown Graphene Buffer Layer

Zhao-Long Chen, Xiang Zhang, Zhipeng Dou, Tong-Bo Wei, Zhi-Qiang Liu, Yue Qi, Haina Ci, Yunyu Wang, Yang Li, Hongliang Chang, Jian-Chang Yan, Shen-Yuan Yang, Yanfeng Zhang, Jun-Xi Wang, P. Gao, Jin-Min Li, Zhong-Fan Liu

Advances in Materials

DOI

2018

Highly Conductive Nitrogen-Doped Graphene Grown on Glass toward Electrochromic Applications.

Lingzhi Cui, Xu-Dong Chen, Bing-Zhi Liu, Ke Chen, Zhao-Long Chen, Yue Qi, Huan-Huan Xie, Fan Zhou, M. Rümmeli, Yanfeng Zhang, Zhong-Fan Liu

ACS Applied Materials and Interfaces

DOI

2018

A Bottom-Up Formation Mechanism of Solid Electrolyte Interphase Revealed by Isotope-Assisted Time-of-Flight Secondary Ion Mass Spectrometry.

Zhe Liu, Peng Lu, Qing-Lin Zhang, Xing-Cheng Xiao, Yue Qi, Long-Qing Chen

Journal of Physical Chemistry Letters

DOI

2018

Origin of the Two-Plateaued or One-Plateaued Open Circuit Voltage in Li/S Batteries from First Principle Calculation

Yue Qi

DOI

2018

Direct CVD Growth of Graphene on Traditional Glass: Methods and Mechanisms

Zhao-Long Chen, Yue Qi, Xu-Dong Chen, Yanfeng Zhang, Zhong-Fan Liu

Advances in Materials

DOI

2018

Switching Vertical to Horizontal Graphene Growth Using Faraday Cage‐Assisted PECVD Approach for High‐Performance Transparent Heating Device

Yue Qi, Bing Deng, Xiao Guo, Shu-Lin Chen, Jing Gao, Tianran Li, Zhipeng Dou, Haina Ci, Jing-Yu Sun, Zhao-Long Chen, Ruo-Yu Wang, Lingzhi Cui, Xu-Dong Chen, Ke Chen, Huihui Wang, Sheng Wang, P. Gao, M. Rümmeli, Hai-Lin Peng, Yanfeng Zhang, Zhong-Fan Liu

Advances in Materials

DOI

2018

6-inch uniform vertically-oriented graphene on soda-lime glass for photothermal applications

Haina Ci, Hua-Ying Ren, Yue Qi, Xu-Dong Chen, Zhao-Long Chen, Jincan Zhang, Yanfeng Zhang, Zhong-Fan Liu

Nano Reseach

DOI

2018

Transferable Self-Consistent Charge Density Functional Tight-Binding Parameters for Li–Metal and Li-Ions in Inorganic Compounds and Organic Solvents

Yunsong Li, Yue Qi

DOI

2018

Anisotropic Strain Relaxation of Graphene by Corrugation on Copper Crystal Surfaces.

Bing Deng, Juan-Xia Wu, Shishu Zhang, Yue Qi, Li-Ming Zheng, Hao Yang, Jilin Tang, L. Tong, Jin Zhang, Zhong-Fan Liu, Hai-Lin Peng

Small

DOI

2017

An analytical derivation of the efficient surface in portfolio selection with three criteria

Yue Qi, Ralph E. Steuer, Maximilian Wimmer

Annals Of Operations Research，Vol. 2510, No. 12

DOI

2017

On the criterion vectors of lines of portfolio selection with multiple quadratic and multiple linear objectives

Yue Qi

Central European Journal Of Operations Research，Vol. 250, No. 10

DOI

2017

First-Principles Studies of Oxygen Vacancy Interactions and Their Impact on Oxygen Migration in Lanthanum Strontium Ferrite

T. Das, J. Nicholas, Yue Qi

DOI

2017

Atomistic Simulation Derived Insight on the Irreversible Structural Changes of Si Electrode during Fast and Slow Delithiation.

K. Kim, J. Wortman, Sung-Yup Kim, Yue Qi

Nano letters (Print)

DOI

2017

Report of the Basic Research Needs Workshop on Next Generation Electrical Energy Storage, March 27 – 29, 2017

G. Crabtree, G. Rubloff, E. Takeuchi, P. Braun, Jun Liu, P. Balbuena, A. Prieto, L. Archer, D. Prendergast, N. Dudney, J. Sakamoto, S. Meng, J. Whitacre, Yue Qi, E. Stach, M. Toney, L. Horton, G. Fiechtner, Bruce Garrett, G. Maracas, N. Melcer, C. Peden, C. Henderson, T. Russell, A. Schwartz, M. Sennett, J. Vetrano, J. Harmon, Katie Runkles

DOI

2017

A Non-Linear Multi-Phase Field Model for Li Plating and Dendrite Growth at Li Metal Anode Incorporating Solid Electrolyte Interphase (SEI) Layer

Zhe Liu, Lei Chen, Yue Qi, Peng Lu, Long-Qing Chen

DOI

2017

Direct Chemical Vapor Deposition Growth and Band-Gap Characterization of MoS2/h-BN van der Waals Heterostructures on Au Foils.

Zhepeng Zhang, Xujing Ji, Jianping Shi, Xiebo Zhou, Shuai Zhang, Yue Hou, Yue Qi, Qi-Yi Fang, Qingqing Ji, Yu Zhang, M. Hong, Pengfei Yang, Xin-Feng Liu, Qing Zhang, Lei Liao, Chuan-Hong Jin, Zhong-Fan Liu, Yanfeng Zhang

ACS Nano

DOI

2017

How Solid-Electrolyte Interphase Forms in Aqueous Electrolytes.

L. Suo, Dahyun Oh, Yu-Xiao Lin, Zeng-Qing Zhuo, O. Borodin, T. Gao, Fei Wang, A. Kushima, Ziqiang Wang, Ho-Cheol Kim, Yue Qi, Wan-Li Yang, Feng Pan, Ju Li, Kang Xu, Chun-Sheng Wang

Journal of the American Chemical Society

DOI

2017

Simulation of the effect of contact area loss in all-solid-state Li-ion batteries

Hong-Kang Tian, Yue Qi

DOI

2017

Unique Transformation from Graphene to Carbide on Re(0001) Induced by Strong Carbon-Metal Interaction.

Yue Qi, Cai-Xia Meng, Xiaozhi Xu, Bing Deng, Nan-Nan Han, Mengxi Liu, M. Hong, Yanxiao Ning, Kai-Hui Liu, Ji-Jun Zhao, Q. Fu, Yuan-Chang Li, Yanfeng Zhang, Zhong-Fan Liu

Journal of the American Chemical Society

DOI

2017

Irreparable Defects Produced by the Patching of h-BN Frontiers on Strongly Interacting Re(0001) and Their Electronic Properties.

Yue Qi, Zhepeng Zhang, Bing Deng, Xiebo Zhou, Qiu-Cheng Li, M. Hong, Yuan-Chang Li, Zhong-Fan Liu, Yanfeng Zhang

Journal of the American Chemical Society

DOI

2017

Strong Adlayer-Substrate Interactions "Break" the Patching Growth of h-BN onto Graphene on Re(0001).

Yue Qi, Nan-Nan Han, Yuan-Chang Li, Zhepeng Zhang, Xiebo Zhou, Bing Deng, Qiu-Cheng Li, Mengxi Liu, Ji-Jun Zhao, Zhong-Fan Liu, Yanfeng Zhang

ACS Nano

DOI

2017

Calculating Anisotropic Correlated Chemical Expansion of Oxygen and Lithium Vacancies in Li 2 MnO 3 to Determine Vacancy Concentrations

C. James, L. Nation, Ju-Chuan Li, N. Dudney, B. Sheldon, Yue Qi

DOI

2017

Semiconductors: Temperature-Triggered Sulfur Vacancy Evolution in Monolayer MoS2/Graphene Heterostructures (Small 40/2017)

Mengxi Liu, Jianping Shi, Yuan-Chang Li, Xiebo Zhou, Dong-Ling Ma, Yue Qi, Yanfeng Zhang, Zhong-Fan Liu

DOI

2017

Quasi-freestanding, striped WS2 monolayer with an invariable band gap on Au(001)

M. Hong, Xiebo Zhou, Jianping Shi, Yue Qi, Zhepeng Zhang, Qi-Yi Fang, Ya-Guang Guo, Ya-Juan Sun, Zhong-Fan Liu, Yuan-Chang Li, Qian Wang, Yanfeng Zhang

Nano Reseach

DOI

2017

Temperature-Triggered Sulfur Vacancy Evolution in Monolayer MoS2 /Graphene Heterostructures.

Mengxi Liu, Jianping Shi, Yuan-Chang Li, Xiebo Zhou, Dong-Ling Ma, Yue Qi, Yanfeng Zhang, Zhong-Fan Liu

Small

DOI

2017

Oxygen Vacancy in Cubic Crystals Produces Anisotropic Chemical Expansion

T. Das, C. James, J. Nicholas, Yue Qi

DOI

2017

Simulation of the Impact of the Loss of Contact Area in All-Solid-State Battery

H. Tian, Yue Qi

DOI

2017

Computationally Driven Two-Dimensional Materials Design: What Is Next?

Jie Pan, S. Lany, Yue Qi

ACS Nano

DOI

2017

Wrinkle-Free Single-Crystal Graphene Wafer Grown on Strain-Engineered Substrates.

Bing Deng, Zhenqian Pang, Shu-Lin Chen, Xin Li, Cai-Xia Meng, Jia-Yu Li, Mengxi Liu, Juan-Xia Wu, Yue Qi, W. Dang, Hao Yang, Yanfeng Zhang, Jin Zhang, N. Kang, Hong-Qi Xu, Q. Fu, Xiao-Hui Qiu, P. Gao, Yujie Wei, Zhong-Fan Liu, Hai-Lin Peng

ACS Nano

DOI

2016

Long Range Charge Transfer and Oxygen Vacancy Interactions in Strontium Ferrite

T. Das, J. Nicholas, Yue Qi

DOI

2016

Atomic Insight into the Lithium Storage and Diffusion Mechanism of SiO2/Al2O3 Electrodes of Lithium Ion Batteries: ReaxFF Reactive Force Field Modeling.

A. Ostadhossein, Sung-Yup Kim, E. Cubuk, Yue Qi, A. V. van Duin

Journal of Physical Chemistry A

DOI

2016

Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components

Yu Lin, Zhe Liu, K. Leung, Long-Qing Chen, Peng Lu, Yue Qi

DOI

2016

In Situ Stress Measurements during Electrochemical Cycling of Lithium-Rich Cathodes

L. Nation, Ju-Chuan Li, C. James, Yue Qi, N. Dudney, B. Sheldon

DOI

2016

Computational Exploration of the Li-Electrode|Electrolyte Interface in the Presence of a Nanometer Thick Solid-Electrolyte Interphase Layer.

Yunsong Li, K. Leung, Yue Qi

Accounts of Chemical Research

DOI

2016

Stabilizing high voltage LiCoO2 cathode in aqueous electrolyte with interphase-forming additive

Fei Wang, Yu-Xiao Lin, L. Suo, Xiu-Lin Fan, T. Gao, Chong-Yin Yang, Fudong Han, Yue Qi, Kang Xu, Chun-Sheng Wang

DOI

2016

(Invited) Computational Design of Coatings, Interfaces, and Nano-Structures for Si Based Electrodes

Yue Qi, Sung-Yup Kim, K. Kim

DOI

2016

Ab initio diffuse-interface model for lithiated electrode interface evolution.

M. E. Stournara, R. Kumar, Yue Qi, B. Sheldon

Physical Review E

DOI

2016

Computational Analysis of Coupled Anisotropic Chemical Expansion in Li_2-XMnO_3-δ

C. James, Yan Wu, B. Sheldon, Yue Qi

DOI

2016

Graphene/h‐BN Heterostructures: Recent Advances in Controllable Preparation and Functional Applications

Xiuju Song, Jing-Yu Sun, Yue Qi, T. Gao, Yanfeng Zhang, Zhong-Fan Liu

DOI

2016

Design of Nanostructured Heterogeneous Solid Ionic Coatings through a Multiscale Defect Model.

Jie Pan, Qing-Lin Zhang, Xing-Cheng Xiao, Yang-Tse Cheng, Yue Qi

ACS Applied Materials and Interfaces

DOI

2016

Periodic Modulation of the Doping Level in Striped MoS₂ Superstructures.

Xiebo Zhou, Jianping Shi, Yue Qi, Mengxi Liu, Dong-Ling Ma, Yu Zhang, Qingqing Ji, Zhepeng Zhang, Cong Li, Zhong-Fan Liu, Yanfeng Zhang

ACS Nano

DOI

2016

Modulating the Electronic Properties of Monolayer Graphene Using a Periodic Quasi-One-Dimensional Potential Generated by Hex-Reconstructed Au(001).

Xiebo Zhou, Yue Qi, Jianping Shi, Jing-Jing Niu, Mengxi Liu, Guanhua Zhang, Qiu-Cheng Li, Zhepeng Zhang, M. Hong, Qingqing Ji, Yu Zhang, Zhong-Fan Liu, Xiaosong Wu, Yanfeng Zhang

ACS Nano

DOI

2016

Graphene/h‐BN Heterostructures: Graphene/h‐BN Heterostructures: Recent Advances in Controllable Preparation and Functional Applications (Adv. Energy Mater. 17/2016)

Xiuju Song, Jing-Yu Sun, Yue Qi, T. Gao, Yanfeng Zhang, Zhong-Fan Liu

DOI

2016

Self-generated concentration and modulus gradient coating design to protect Si nano-wire electrodes during lithiation.

Sung-Yup Kim, A. Ostadhossein, A. V. van Duin, Xing-Cheng Xiao, Hua-Jian Gao, Yue Qi

Physical Chemistry, Chemical Physics - PCCP

DOI

2016

Synergetic Effects of Inorganic Components in Solid Electrolyte Interphase on High Cycle Efficiency of Lithium Ion Batteries.

Qing-Lin Zhang, Jie Pan, Peng Lu, Zhong-Yi Liu, M. Verbrugge, B. Sheldon, Yang-Tse Cheng, Yue Qi, Xing-Cheng Xiao

Nano letters (Print)

DOI

2016

Interfacial Study on Solid Electrolyte Interphase at Li Metal Anode: Implication for Li Dendrite Growth

Zhe Liu, Yue Qi, Yu-Xiao Lin, Lei Chen, Peng Lu, Long-Qing Chen

DOI

2016

Atomistic Structural Evolution and Li Trapping Due to Delithiation Rates in Si Electrodes

Yue Qi

DOI

2016

(Invited) Phase-Field Method of Li Dendrite Formation during Electrodeposition

Lei Chen, Zhe Liu, Yue Qi, Peng Lu, Long-Qing Chen

DOI

2015

Vacancies in Si Can Improve the Concentration-Dependent Lithiation Rate: Molecular Dynamics Studies of Lithiation Dynamics of Si Electrodes

K. Kim, Yue Qi

DOI

2015

Predicting Transport Properties at Electrode/SEI/Electrolyte Interfaces in Li Ion Batteries

Yue Qi

DOI

2015

Molecular Dynamics Studies of Diffusion Dynamics during Lithiation of Si Electrode: Increasing Si Vacancies Can Improve the Lithiation Rate

K. Kim, Yue Qi

DOI

2015

(Invited) Mechano-Electro-Chemical Coupling in Lithium Intercalation Compounds

Yue Qi, C. James

DOI

2015

The impact of oxygen vacancies on lithium vacancy formation and diffusion in Li2-xMnO3-δ

C. James, Yan Wu, B. Sheldon, Yue Qi

DOI

2015

Dissecting graphene capacitance in electrochemical cell

Sheng Sun, Yue Qi, Tong-Yi Zhang

DOI

2015

Molecular Dynamics Simulations of Lithiation of Si Nanowires Covered By SiO2 and Al2O3 Shells

Sung-Yup Kim, A. Ostadhossein, A. V. van Duin, Yue Qi

DOI

2015

Diffusion‐Induced Stress within Core–Shell Structures and Implications for Robust Electrode Design and Materials Selection

M. Verbrugge, Yue Qi, D. Baker, Yang-Tse Cheng

DOI

2015

Grain Boundary Structures and Electronic Properties of Hexagonal Boron Nitride on Cu(111).

Qiu-Cheng Li, X. Zou, Mengxi Liu, Jing-Yu Sun, Yabo Gao, Yue Qi, Xiebo Zhou, B. Yakobson, Yanfeng Zhang, Zhong-Fan Liu

Nano letters (Print)

DOI

2015

General method to predict voltage-dependent ionic conduction in a solid electrolyte coating on electrodes

Jie Pan, Yang-Tse Cheng, Yue Qi

DOI

2015

Determining the Phase Stability and Oxygen Nonstoichiometry of Lanthanum Strontium Ferrite Structures By Combining Density Functional Theory and Thermodynamics

T. Das, J. Nicholas, Yue Qi

DOI

2015

Compare the Electronic Insulating Abilities of Inorganic Components in Solid Electrolyte Interphase (SEI): A First Principles Study

Yu-Xiao Lin, Yue Qi

DOI

2015

From material modeling to Li-ion Battery life prediction - A closer look at the degradation mechanisms

Yue Qi

2014

Property Evolution of Al2O3 Coated and Uncoated Si Electrodes: A First Principles Investigation

Sung-Yup Kim, Yue Qi

DOI

2014

Property Evolution of ALD-Al2O3 Coated and Uncoated Si Electrodes

Sung-Yup Kim, Yue Qi

DOI

2014

Lithium Concentration Dependent Elastic Properties of Battery Electrode Materials from First Principles Calculations

Yue Qi, L. Hector, C. James, K. Kim

DOI

2014

Introduction to Mechano-Electro-Chemical Coupling in Energy Related Materials and Devices

J. Nicholas, Yue Qi, S. Bishop, P. Mukherjee

DOI

2014

Diffusion Mechanisms in the Solid Electrolyte Interphase in Li-Ion Batteries from First Principle Calculation

Zhe Liu, Hao-Wei Zhang, Yue Qi, S. Harris, Peng Lu, Long-Qing Chen

DOI

2014

Comparison of Density Functional Theory Predictions with Experimentally Measured Lanthanum Strontium Ferrite Thin Film Oxygen Surface Exchange Coefficients

T. Das, Yue Qi, J. Nicholas

DOI

2014

JES FOCUS ISSUE ON MECHANO-ELECTRO-CHEMICAL COUPLING IN ENERGY RELATED MATERIALS AND DEVICES Property Evolution of Al 2 O 3 Coated and Uncoated Si Electrodes: A First Principles Investigation

Sung-Yup Kim, Yue Qi

2014

From ab initio calculations to multiscale design of Si/C core-shell particles for Li-ion anodes.

M. E. Stournara, Yue Qi, V. Shenoy

Nano letters (Print)

DOI

2014

Understanding and Predicting the Lithium Dendrite Formation in Li-Ion Batteries: Phase Field Model

Hao-Wei Zhang, Zhe Liu, L. Liang, Lei Chen, Yue Qi, S. Harris, Peng Lu, Long-Qing Chen

DOI

2013

Integrating State of Charge (SOC) Dependent Material Properties Into Li-Ion Battery Failure Modeling

Yue Qi

DOI

2013

Defect Thermodynamics and Diffusion Mechanisms in Li2CO3 and Implications for the Solid Electrolyte Interphase in Li-Ion Batteries

Siqi Shi, Yue Qi, Hong Li, L. Hector

DOI

2013

On the La2/3−xLi3xTiO3/Al2O3 composite solid-electrolyte for Li-ion conduction

Hui Zhang, Xing-Bo Liu, Yue Qi, V. Liu

DOI

2013

Nanostructures for Electrical Energy Storage

Gary Blockinrubloff, U. Maryland, Gary Rubloff-Director, John Sullivan-Ca, P. Collins, R. Penner, R. Ghodssi, K. Jungjohann, Z. Siwy, J. Cumings, Tom Harris, Ucla Chunsheng, W. K. Leung, B. Dunn, Yu-Huang Wang, U. Florida, Liang-Bing Hu, C. Martin, Yue Qi, J. Reutt-Robey, B. Eichhorn, H. White, E. Williams, M. Fuhrer, E. Lathrop, M. Reed, T. Picraux, Ext Advisory, Board Affiliates, A. Predith

2013

Electrochemical synthesis of SnCo alloy shells on orderly rod-shaped Cu current collectors as anode materials for lithium-ion batteries with enhanced performance

Fang-Wei Zhan, Hui Zhang, Yue Qi, Jiazheng Wang, N. Du, De-Ren Yang

DOI

2013

Improving Microstructure of Silicon/Carbon Nanofiber Composites as A Li Battery Anode

J. Howe, D. Burton, Yue Qi, H. Meyer, M. Nazri, G. Nazri, A. Palmer, P. Lake

DOI

2013

Highly loaded CoO/graphene nanocomposites as lithium-ion anodes with superior reversible capacity

Yue Qi, Hui Zhang, N. Du, De-Ren Yang

DOI

2013

Li segregation induces structure and strength changes at the amorphous Si/Cu interface.

M. E. Stournara, Xing-Cheng Xiao, Yue Qi, P. Johari, Peng Lu, B. Sheldon, Hua-Jian Gao, V. Shenoy

Nano letters (Print)

DOI

2013

Lithium Segregation Induced Structure and Strength Change At Amorphous-Si/Cu Interface

M. E. Stournara, Xing-Cheng Xiao, Yue Qi, P. Johari, Peng Lu, B. Sheldon, Hua-Jian Gao, V. Shenoy

DOI

2013

Stress Evolution and Interfacial Mechanics in the Solid Electrolyte Interphase

B. Sheldon, A. Tokranov, Xing-Cheng Xiao, Yue Qi, Peng Lu

DOI

2013

A beaded-string silicon anode.

Chuan-Fu Sun, Khim Karki, Z. Jia, Hong-Wei Liao, Yin Zhang, Teng Li, Yue Qi, J. Cumings, G. Rubloff, Yu-Huang Wang

ACS Nano

DOI

2013

Unveiling the Roles of Binder in the Mechanical Integrity of Electrodes for Lithium-Ion Batteries

Jian-Chao Chen, Jian-Yong Liu, Yue Qi, T. Sun, Xiao-Dong Li

DOI

2013

Phase-Field Modeling of Li Deposits Growth in Li-Ion Batteries

L. Liang, Yue Qi, S. Harris, Long-Qing Chen

DOI

2012

Stress Contributions to Solution Thermodynamics in Li-Si Alloys

B. Sheldon, S. Soni, Xing-Cheng Xiao, Yue Qi

DOI

2012

CoO/NiSi(x) core-shell nanowire arrays as lithium-ion anodes with high rate capabilities.

Yue Qi, N. Du, Hui Zhang, Xing Fan, Yang Yang, De-Ren Yang

Nanoscale

DOI

2012

Publisher's Note: Stress Contributions to Solution Thermodynamics in Li-Si Alloys [Electrochem. Solid-State Lett., 15, A9 (2012)]

B. Sheldon, S. Soni, Xing-Cheng Xiao, Yue Qi

DOI

2012

Direct calculation of Li-ion transport in the solid electrolyte interphase.

Siqi Shi, Peng Lu, Zhong-Yi Liu, Yue Qi, L. Hector, Hong Li, S. Harris

Journal of the American Chemical Society

DOI

2012

Visualizing the chemistry and structure dynamics in lithium-ion batteries by in-situ neutron diffraction

Xunyin Wang, K. An, Lu Cai, Zhi-Li Feng, S. Nagler, Claus Daniel, K. Rhodes, A. Stoica, H. Skorpenske, Cheng-Du Liang, Wei Zhang, Joon-Sup Kim, Yue Qi, S. Harris

Scientific Reports

DOI

2012

Lattice dynamics, thermodynamics and elastic properties of monoclinic Li2CO3 from density functional theory

Shun-Li Shang, L. Hector, Siqi Shi, Yue Qi, Yi Wang, Zi-Kiu Liu

DOI

2012

Nanostructured hybrid cobalt oxide/copper electrodes of lithium-ion batteries with reversible high-rate capabilities

Yue Qi, N. Du, Hui Zhang, Jiazheng Wang, Yang Yang, De-Ren Yang

DOI

2012

Two-Layer/Two-Mechanism Model of Li-Ion Diffusion in Solid Electrolyte Interphase

Siqi Shi, Yue Qi, Peng Lu, Zhong-Yi Liu, L. Hector, S. Harris

DOI

2012

Nonlinear phase-field model for electrode-electrolyte interface evolution.

L. Liang, Yue Qi, F. Xue, S. Bhattacharya, S. Harris, Long-Qing Chen

Physical review. E, Statistical, nonlinear, and soft matter physics

DOI

2012

Anchoring platinum on graphene using metallic adatoms: a first principles investigation

F. Sen, Yue Qi, A. Alpas

Journal of Physics: Condensed Matter

DOI

2012

Synthesis of Co3O4@SnO2@C core-shell nanorods with superior reversible lithium-ion storage

Yue Qi, Hui Zhang, N. Du, Chuan-Xin Zhai, De-Ren Yang

DOI

2011

Comparative issues in large-scale mean-variance efficient frontier computation

Ralph E. Steuer, Yue Qi, Markus Hirschberger

Decision Support Systems，Vol. 51, No. 2

DOI

2011

New approach to determine the priorities from interval fuzzy preference relations

Qi Yue, Zhiping Fan, Lihua Shi

Journal Of Systems Engineering And Electronics，Vol. 22, No. 2

DOI

2011

Using atomic layer deposition to hinder solvent decomposition in lithium ion batteries: first-principles modeling and experimental studies.

K. Leung, Yue Qi, K. Zavadil, Y. Jung, A. Dillon, A. Cavanagh, Se-Hee Lee, S. George

Journal of the American Chemical Society

DOI

2011

Synthesis of Co2SnO4@C core–shell nanostructures with reversible lithium storage

Yue Qi, N. Du, Hui Zhang, Ping Wu, De-Ren Yang

DOI

2011

Carbon-coated SnO2 nanotubes: template-engaged synthesis and their application in lithium-ion batteries.

Ping Wu, N. Du, Hui Zhang, Jingxue Yu, Yue Qi, De-Ren Yang

Nanoscale

DOI

2011

Theoretical Study of Organic Solvent Breakdown on Oxide-Passivated Grahitic Anode Surfaces of Lithium Ion Battiers

K. Leung, Yue Qi, K. Zavadil, L. A. Riley, A. Dillon, M. Siegal

DOI

2011

The mixing mechanism during lithiation of Si negative electrode in Li-ion batteries: an ab initio molecular dynamics study.

P. Johari, Yue Qi, V. Shenoy

Nano letters (Print)

DOI

2011

First Principles Studies of Li Ion Diffusion through Li2CO3 and Graphite/Li2CO3 Interfaces

Siqi Shi, Yue Qi, L. Hector

DOI

2010

Large-scale MV efficient frontier computation via a procedure of parametric quadratic programming

Markus Hirschberger, Yue Qi, Ralph E. Steuer

European Journal Of Operational Research，Vol. 204, No. 3

DOI

2010

Effects of Concentration-Dependent Elastic Modulus on Diffusion-Induced Stresses for Battery Applications

R. Deshpande, Yue Qi, Yang-Tse Cheng

DOI

2010

Elastic softening of amorphous and crystalline Li–Si Phases with increasing Li concentration: A first-principles study

V. Shenoy, P. Johari, Yue Qi

DOI

2010

Threefold Increase in the Young’s Modulus of Graphite Negative Electrode during Lithium Intercalation

Yue Qi, Hai-Bo Guo, L. Hector, A. Timmons

DOI

2010

In Situ Observation of Strains during Lithiation of a Graphite Electrode

Yue Qi, S. Harris

DOI

2010

Mesopores inside electrode particles can change the Li-ion transport mechanism and diffusion-induced stress

S. Harris, R. Deshpande, Yue Qi, Indrajit Dutta, Yang-Tse Cheng

DOI

2010

The Influence of Nanopores Inside Micron-Sized Electrode on Diffusion and Diffusion-Induced-Stress

S. Harris, Yue Qi, R. Deshpande, Yang-Tse Cheng, Indrajit Dutta

DOI

2010

Effects of Concentration-Dependent Young's Modulus on Diffusion Induced Stress Modeling for Battery Applications

R. Deshpande, Yang-Tse Cheng, Yue Qi, M. Verbrugge

DOI

2010

Three-Fold Increase in the Modulus of Graphite Negative Electrodes during Lithium Intercalation

Yue Qi, L. Hector, A. Timmons, Hai-Bo Guo

DOI

2007

Randomly generating portfolio-selection covariance matrices with specified distributional characteristics

Markus Hirschberger, Yue Qi, Ralph E. Steuer

European Journal Of Operational Research，Vol. 177, No. 3

DOI

会议论文

2015

Controllable synthesis of graphene using novel aromatic 1,3,5-triethynylbenzene molecules on Rh(111)

Yue Qi, Xiebo Zhou, Mengxi Liu, Qiu-Cheng Li, Dong-Ling Ma, Yanfeng Zhang, Zhong-Fan Liu

DOI

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