刘利民｜北京航空航天大学｜学者主页

2026

Sintering behavior and electrochemical properties of TiO2-doped Na-β″-Al2O3 solid electrolytes

Kunyu Wen, Xiao-Liang Zhou, Limin Liu, Li Zhang, Qian Yang, Yang-Yang Zhang, Xiaoxi Meng, Ding-Qian Wang, Xinning Gong

Journal of materials science. Materials in electronics

DOI

2026

Samarium nitrate additive strategy for dendrite- free zinc deposition in advanced aqueous zinc-ion batteries

Shuo Zhang, Limin Liu, Xiao-Liang Zhou, Haoyi Jia, Qian Yang, Bo Zhang, Xuan Zhu, Yong-Chao Niu

Journal of Electroanalytical Chemistry

DOI

2026

Investigation on the performance of Fe/co codoped Gd-doped ceria for anode and barrier layer in solid oxide fuel cells

Yanlinqing Luo, Xiao-Liang Zhou, Limin Liu, Haoyi Jia, Yong-Chao Niu, Bo Zhang, Haoran Liu, Mingze Li, Mulang Wang, Xin-Ce Gong

Materials Science and Engineering: B

DOI

2026

Spray drying and carbon coating coupling process to enhance sodium storage kinetics of Na3V2(PO4)3/C

Li Zhang, Xiao-Liang Zhou, Limin Liu, Qian Yang, Yang-Yang Zhang, Bo Zhang, Yong-Chao Niu

Chemical Physics Letters

DOI

2026

Potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction

Tongwei Wu, Xiaoxi Guo, G. Zhang, Yanning Zhang, Li Song, Zheng Liu, Hui Zhang, Shucheng Shi, Limin Liu, Marko Melander, Karoliina Honkala

Nature Communications

DOI

2026

Effect of the hydrogen distribution of Ni–Fe hydroxide on the oxygen evolution reaction

Peijia Ding, Hao Zheng, Yufeng Xue, Xueqi Zhao, Zhanrong Zhou, Junwen Yin, Qi Hu, Limin Liu

Dalton Transactions

DOI

2026

Methanolzersetzung auf TiO 2 unter Umgebungsbedingungen: Kooperativer Protonentransfer an hydratisierten Grenzflächen

Milad Salarinasab, Julian Andreas Hochhaus, Jing Wang, Aimeric Ouvrard, Anas Akhtar, Michele Capra, Kristina Tschulik, C. Westphal, Mirko Cinchetti, Bo Wen, Limin Liu, Zhe Wang, Ahmed Ghalgaoui

Angewandte Chemie

DOI

2026

Methanol Decomposition on TiO 2 Under Ambient Conditions: Cooperative Proton Transfer at Hydrated Interfaces

Milad Salarinasab, Julian Andreas Hochhaus, Jing Wang, Aimeric Ouvrard, Anas Akhtar, Michele Capra, Kristina Tschulik, C. Westphal, Mirko Cinchetti, Bo Wen, Limin Liu, Zhe Wang, Ahmed Ghalgaoui

Angewandte Chemie International Edition

DOI

2026

Transient Regulation of Crystallization via Volatile Additives to Obtain High‐Quality Perovskite Films

Aiqing Sun, Wangda Li, Changshan Bu, Yang Huang, Limin Liu, Linhua Hu

Angewandte Chemie

DOI

2026

An Efficient On-the-Fly Nonadiabatic Coupling Framework Integrated into CP2K

Xiaoke He, Hsiao-Yi Tsai, Ziwei Chai, Junwen Yin, Zhongfei Xu, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2026

Realizing ultrafast Li-ion transport through electronegative nanochannels for high-rate lithium metal battery

Jianbin Wang, Hsiaoyi Tsai, Yifeng Li, Shiwen Wang, Yuhong Jin, Gilberto Teobaldi, Qianqian Zhang, Limin Liu

Nano Energy

DOI

2026

Understanding the Origin of High Quantum Efficiency in Photocatalytic Water Splitting of Al-Doped SrTiO3 from First-Principles Calculations

Wenhui Zhao, Yujie Zhang, Xing Ding, Wen‐Jin Yin, Chuan‐Jia Tong, zhenkun Tang, Limin Liu

ACS Catalysis

DOI

2026

Efficient Electrochemical Urea Synthesis From CO 2 and N 2 in Moderate Pressure

Xi Chen, Tongcai Yue, Yue Liu, Yong Zhao, Hanke Cui, Hongfei Gu, Xiaoyi Sun, Qi Lin Hu, Mingke Sun, Haolin Li, Yuhan Ma, Weifeng Huang, Jianxin Kang, Limin Liu, Lin Guo

Angewandte Chemie

DOI

2026

Synergistic enhancement of bilayer NiOOH catalytic activity for oxygen evolution reaction via interface and Fe doping: insights from first-principles calculations

Xingchen Ding, Jia-Hang Cai, Rui Tan, Xing-Xing Jiang, Jieyao Tan, Qi Hu, Zhen‐Kun Tang, Limin Liu

Chemical Communications

DOI

2025

Proton Ceramic Membrane Reactor: Preparation and Low-temperature Ammonia Decomposition Performance

Yang Tang, Limin Liu, Xiao-Liang Zhou, Bo Zhang, Xingzhou Jiang, Haoyi Jia, Yanlinqing Luo

Journal of inorganic materials

DOI

2025

A novel gel electrolyte with a wide electrochemical window and high stability for sodium metal batteries

Weilin Guo, Xiao-Liang Zhou, Limin Liu, Ming Fang, Bo Zhang, Jingjie Li, Li Zhang, Jie Li, Qian Yang

Chemical Physics Letters

DOI

2025

Simultaneously improving sodium ionic conductivity and dendrite behavior of NaSICON ceramics by grain-boundary modification

Limin Liu, Qian-Li Ma, Xiao-Liang Zhou, Zi-Ming Ding, D. Grüner, C. Kübel, Frank Tietz

Journal of Power Sources

DOI

2025

Nominal Lanthanum Niobate, a Versatile Additive for Reducing Grain Boundary Resistance in Conductive Ceramics

Limin Liu, Yujian Liu, Xiao-Liang Zhou, Frank Tietz, D. Grüner, Ting-Ting Yang, Lei Jin, Xing-Yu Liu, Jürgen Malzbender, Ruth Schwaiger, Rafal E. Dunin-Borkowski, Qian-Li Ma

Advanced Energy Materials

DOI

2025

The performance of Cu₃P/TiO₂ nanotube as a novel photoelectrocatalyst for water electrolysis in alkaline medium

Xin Zhou, Limin Liu, Xiao-Liang Zhou, Jingjie Li, Weilin Guo, Yang Tang

New Journal of Chemistry

DOI

2025

Doping of manganese hexacyanoferrate with cobalt for improving electrochemical performance in high-energy sodium-ion batteries

Jie Li, Limin Liu, Yu-Ting Gao, Jin-Ze Guo, Xin Long, Shilei Chen, Song-hee Yang, Q. Yuan, Yi-Fei Sun, Zhong-Ye Lan, Yuping Liu, Xiao-Liang Zhou, Yinzhu Jiang

Materials Science and Engineering: B

DOI

2025

Conductive NaTi2(PO4)3/C nanocomposite by spray drying for enhanced sodium energy storage

Xinru Guo, Xiao-Liang Zhou, Limin Liu, Ming Fang, Jingjie Li, Weilin Guo, Kunyu Wen, Li Zhang

Ionics (Kiel)

DOI

2025

Ion‐Exchange Synthesis of Low‐Water Prussian Blue Analogs for Enhanced Sodium Storage

Jie Li, Limin Liu, Yu-Ting Gao, Xiao-Liang Zhou, Ming Fang, Jin-Ze Guo, Xiao-Chong Zhou, Bo Zhang, Chun-Jiang Jia, Ben Bin Xu, Yin-Zhu Jiang

EcoMat

DOI

2025

Electrochemical performance of a low-temperature solid oxide fuel cells with cobalt-based perovskite as the cathode

Xingzhou Jiang, Xiao-Liang Zhou, Limin Liu, Ming Fang, Bo Zhang, Yang Tang, Haoyi Jia, Yanlinqing Luo, Haoran Liu

Materials Science and Engineering: B

DOI

2025

In Situ Identification of Dynamic Active Sites in the Electrocatalytic Nitrate Reduction Reaction

Yong Sheng Zhao, Shuang Gao, Xiangyu Chen, Yue Liu, Mengjuan Zhang, Yifei Liu, Jianxin Kang, Tianqi Guo, Limin Liu, Lin Guo

Journal of the American Chemical Society

DOI

2025

Antiferroelectric SnO 2 Network with Amorphous Surface for Electrochemical N 2 Fixation

Xiangyu Chen, Shuning Lv, Yue Liu, Hongfei Gu, Xiaoyi Sun, Qi Lin Hu, Yong Zhao, Zhaoyu Li, Tianqi Guo, Jianxin Kang, Limin Liu, Lin Guo

Angewandte Chemie International Edition

DOI

2025

Water induced redistribution of polarons in rutile TiO2(011)-(2 × 1)

Yajie Gao, Kai-Ping Wang, Tianjun Wang, Shucai Xia, Tianjun Wang, Bo Wen, Limin Liu, Zefeng Ren, Xueming Yang, Chuanyao Zhou

The Journal of Chemical Physics

DOI

2025

Testing, quantification, in situ characterization and calculation simulation for electrocatalytic nitrate reduction

Kai Dong, Shuhe Han, Yanan Li, Zhongliao Wang, Chuang Xue, Xiaogang Sun, Yongchao Yao, Haobo Li, Xin Wang, Dongwei Ma, Limin Liu, Bin Zhang

Nature Protocols

DOI

2025

Amorphous monolayer CuPd catalysts for selective semihydrogenation

Haosen Yang, Bozhou Yan, Yufeng Xue, Tianqi Guo, Zhongchang Wang, Gilberto Teobaldi, Pengfei Hu, Limin Liu, Lin Guo

Science Advances

DOI

2025

Relevance of the electronic structure of the substrate to O 2 molecule adsorption on Fe-N-C single-atom catalysts under electrochemical potential

Donghai Wu, Jiahang Li, Qinzhuang Liu, Dongwei Ma, Limin Liu

Physical Review Materials

DOI

2025

How amorphous CoOx(OH)y-Pd nanocomposite endows high performance and durability in methanol oxidation reaction

Zhao Yang, Tianqi Guo, Tianqi Guo, Qi Hu, Juzhe Liu, Juzhe Liu, Xiangyu Chen, Yu Wang, Yu Wang, Limin Liu, Zhongchang Wang, Lin Guo

Materials Today

DOI

2025

Boron Doping‐Induced Ultrahigh Ce 3+ Ratio in Amorphous CeO 2 /GO Catalyst for Low‐Concentration CO 2 Photoreduction

Yanhong Li, Qian Yin, Binbin Jia, Huiqing Wang, Hongfei Gu, Qi Hu, Haosen Yang, Tianqi Guo, Pengfei Hu, Lidong Li, Limin Liu, Lin Guo

Angewandte Chemie

DOI

2025

A Unique Descriptor for Electron Polaron Migration: Larmor Radius

Rutong Si, Ziwei Chai, Hsiaoyi Tsai, Qi Hu, Wen‐Jin Yin, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2024

Hierarchical α-MnO2@LaxMn1-xO2-δ core–shell nanostructure cathode for high-performance aqueous Zn-ion batteries

Huangmin Li, Xiao-Liang Zhou, Limin Liu, Di Huang, Wanxing Zhang, Shuo Zhang

Ionics (Kiel)

DOI

2024

Nb-doped Na0.75Co0.20Mn0.78Nb0.02O2 cathode with excellent cyclability for Na-ion batteries

Jingjie Li, Limin Liu, Xiao-Liang Zhou, Ming Fang, Xinru Guo, Weilin Guo

Chemical Physics Letters

DOI

2024

High-Performance Low-Temperature Solid Oxide Fuel Cell with a Pt@C–Ni0.8Co0.15Al0.05LiO2−δ Composite Cathode

Fei-Fan He, Xiao-Liang Zhou, Limin Liu, Yang Sheng, Xingzhou Jiang, Yang Tang, Wan-Yu Dang, Jia Du, Xiucheng Zhang, Yong-Chao Niu

Energy & Fuels

DOI

2024

Stable zinc metal electrodeposition based on uniformly porous yttria-stabilized zirconia ceramic separator for aqueous zinc ion battery

Limin Liu, Wanxing Zhang, Jingjie Li, Xiao-Liang Zhou, Ming Fang, Shuo Zhang, Jia Fu, Huangmin Li

Journal of Alloys and Compounds

DOI

2024

Conductivity behavior of Na5YSi4O12 and its typical structural analogues by solution-assisted solid-state reaction for solid-state sodium battery

Limin Liu, Yao Xu, Xiao-Liang Zhou, Weilin Guo, Jie Li, Xinru Guo, Yuhang Jiang

Journal of Solid State Chemistry

DOI

2024

Multiscale observations on mechanisms for direct regeneration of degraded NCM cathode materials

Chun-Xian Xing, Min Gan, Yiran Ying, Bin Zhang, Limin Liu, Jing Ye, Yi Liu, Yue-Fei Zhang, Haitao Huang, Lin-Feng Fei

Energy Storage Materials

DOI

2024

Publisher Correction: Nitrogen-doped amorphous monolayer carbon

Xiuhui Bai, Pengfei Hu, Ang Li, Youwei Zhang, Aowen Li, Guangjie Zhang, Yufeng Xue, Tianxing Jiang, Zezhou Wang, Hanke Cui, Jianxin Kang, Hewei Zhao, Lin Gu, Wu Zhou, Limin Liu, Xiaohui Qiu, Lin Guo

Nature

DOI

2024

Nitrogen-doped amorphous monolayer carbon

Xiuhui Bai, Pengfei Hu, Ang Li, Youwei Zhang, Aowen Li, Guangjie Zhang, Yufeng Xue, Tianxing Jiang, Zezhou Wang, Hanke Cui, Jianxin Kang, Hewei Zhao, Lin Gu, Wu Zhou, Limin Liu, Xiaohui Qiu, Lin Guo

Nature

DOI

2024

High-Valence Cu Induced by Photoelectric Reconstruction for Dynamically Stable Oxygen Evolution Sites

Zhi Duan Cai, Lidong Li, Peijia Ding, Dawei Pang, Mingyuan Xu, Ziyan Xu, Jianxin Kang, Tianqi Guo, Gilberto Teobaldi, Zhongchang Wang, Limin Liu, Lin Guo

Journal of the American Chemical Society

DOI

2024

Amorphous Bismuth–Tin Oxide Nanosheets with Optimized C–N Coupling for Efficient Urea Synthesis

Xiangyu Chen, Shuning Lv, Hongfei Gu, Hanke Cui, Gui Liu, Yifei Liu, Zhaoyu Li, Ziyan Xu, Jianxin Kang, Gilberto Teobaldi, Limin Liu, Lin Guo

Journal of the American Chemical Society

DOI

2024

Atomic Phosphorus Sites for Anchoring Platinum–Tungsten Dimers to Facilitate Proton Transfer in All‐pH Hydrogen Evolution

Yi Ran Guan, Zhongxin Song, Chuang Xue, Xiaozhang Yao, Matthew Liu Zheng, Jiamin Fu, Weihan Li, Yongliang Li, Xiangzhong Ren, Lei Zhang, Limin Liu, Xueliang Andy Sun

Advanced Energy Materials

DOI

2024

Recent progress in amorphous nanomaterials for electrochemical synthesis of N-containing compounds

Xiangyu Chen, Shuning Lv, Ziming Su, Xiuyi Yang, Hanke Cui, Zhao Yang, Ziyan Xu, Gilberto Teobaldi, Jianxin Kang, Limin Liu, Lin Guo

Chem Catalysis

DOI

2024

Optimizing Molecular Passivation in MAPbI3 Perovskites: Impact of Dipole Moments and Structural Parameters

Zhongfei Xu, Hsiaoyi Tsai, Junyi Cui, Guangfei Yu, Ming Zhang, Junwen Yin, Qi Hu, Chuan‐Jia Tong, Gilberto Teobaldi, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2024

Detrimental Defect Cooperativity at TiO 2 /CH 3 NH 3 PbI 3 Interface: Decreased Stability, Enhanced Ion Diffusion, and Reduced Charge Lifetime and Transport

Kai-Ping Wang, Zhiwei Wu, Kai-Feng Wang, Hao-Ting Xu, Jun He, Bo Wen, Chuan‐Jia Tong, Limin Liu, Oleg V. Prezhdo

ACS Energy Letters

DOI

2024

Minimum Tracking Linear Response Hubbard and Hund Corrected Density Functional Theory in CP2K

Ziwei Chai, Rutong Si, Mingyang Chen, Gilberto Teobaldi, David Daniel O’Regan, Limin Liu

Journal of Chemical Theory and Computation

DOI

2024

Circumventing the Theoretical Scaling Relation Limit for the Oxygen Evolution Reaction

Peijia Ding, Yufeng Xue, Ziwei Chai, Qi Lin Hu, Chuan‐Jia Tong, Gilberto Teobaldi, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2023

Efficient C–N coupling in the direct synthesis of urea from CO 2 and N 2 by amorphous Sb x Bi 1-x O y clusters

Xiangyu Chen, Shuning Lv, Jianxin Kang, Zhongchang Wang, Tianqi Guo, Yu Wang, Gilberto Teobaldi, Limin Liu, Lin Guo

Proceedings of the National Academy of Sciences

DOI

2023

Parallel Nanosheet Arrays for Industrial Oxygen Production

Jianxin Kang, Gui Liu, Qi Hu, Yezeng Huang, Limin Liu, Leiting Dong, Gilberto Teobaldi, Lin Guo

Journal of the American Chemical Society

DOI

2023

Tuning Octahedral Tilting by Doping to Prevent Detrimental Phase Transition and Extend Carrier Lifetime in Organometallic Perovskites

Junwen Yin, Zhongfei Xu, Qi Hu, Gilberto Teobaldi, Limin Liu, Oleg V. Prezhdo

Journal of the American Chemical Society

DOI

2023

Distribution of high valence Fe sites in nickel–iron hydroxide catalysts for water oxidation

Peijia Ding, Qi Lin Hu, Ziwei Chai, Hong-Bo Zhou, Guang‐Hong Lu, Gilberto Teobaldi, Annabella Selloni, Limin Liu

Journal of Materials Chemistry A

DOI

2023

Activating Bi p‐orbitals in Dispersed Clusters of Amorphous BiOx for Electrocatalytic Nitrogen Reduction

Jianxin Kang, Xiangyu Chen, Rutong Si, Xiang Gao, Shuo Zhang, Gilberto Teobaldi, Annabella Selloni, Limin Liu, Lin Guo

Angewandte Chemie

DOI

2023

Recent Progress of Amorphous Nanomaterials

Jianxin Kang, Xiuyi Yang, Qi Lin Hu, Zhi Duan Cai, Limin Liu, Lin Guo

Chemical Reviews

DOI

2023

Synergetic enhancement of selectivity for electroreduction of CO2 to C2H4 by crystal facet engineering and tandem catalysis over silver-incorporated-cuprous oxides

Gang Dong, Chuang Xue, Meng Li, Tiantian Zhang, Dongsheng Geng, Limin Liu

Materials Reports Energy

DOI

2023

Oxygen Vacancy Diffusion in Rutile TiO2: Insight from Deep Neural Network Potential Simulations

Zhihong Wu, Wen‐Jin Yin, Bo Wen, Dongwei Ma, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2022

Hybrid Lamellar Superlattices with Monoatomic Platinum Layers and Programmable Organic Ligands

Pengfei Hu, Haosen Yang, Shulin Chen, Yufeng Xue, Qiaonan Zhu, Mengyao Tang, Hua Wang, Limin Liu, Peng Gao, Xiangfeng Duan, Lin Guo

Journal of the American Chemical Society

DOI

2022

Atomic Replacement of PtNi Nanoalloys within Zn-ZIF-8 for the Fabrication of a Multisite CO2 Reduction Electrocatalyst

Xiaolu Wang, Ninghua Fu, Jincheng Liu, Ke Xin Yu, Zhi Li, Zhongfei Xu, Xiao Liang, Peng Zhu, Chenliang Ye, Awu Zhou, Ang Li, Lirong Zheng, Limin Liu, Chen Chen, Dingsheng S. Wang, Qing Peng, Yadong Li

Journal of the American Chemical Society

DOI

2022

Realizing Two-Electron Transfer in Ni(OH)2 Nanosheets for Energy Storage

Jianxin Kang, Yufeng Xue, Jie Ren Yang, Qi Lin Hu, Qinghua Zhang, Lin Gu, Annabella Selloni, Limin Liu, Lin Guo

Journal of the American Chemical Society

DOI

2022

How Hole Injection Accelerates Both Ion Migration and Nonradiative Recombination in Metal Halide Perovskites

Chuan‐Jia Tong, Xiaoyi Cai, An-Yu Zhu, Limin Liu, Oleg V. Prezhdo

Journal of the American Chemical Society

DOI

2022

Highly Active and Stable Li2S−Cu Nanocomposite Cathodes Enabled by Kinetically Favored Displacement Interconversion between Cu2S and Li2S

Lulu Tan, Anran Li, Yusi Yang, Jianwen Zhang, Xiaogang Niu, Nan Li, Limin Liu, Lin Guo, Yujie Zhu

Angewandte Chemie

DOI

2022

The role of permanent and induced electrostatic dipole moments for Schottky barriers in Janus MXY/graphene heterostructures: a first-principles study

Yu-Qi Chen, Huanhuan Zhang, Bo Wen, Xi‐Bo Li, Xiaolin Wei, Wen‐Jin Yin, Limin Liu, Gilberto Teobaldi

Dalton Transactions

DOI

2022

Crucial Role of Crystal Field on Determining the Evolution Process of Janus MoSSe Monolayer: A First-Principles Study

Hua-Jian Tan, Huanhuan Zhang, Xi‐Bo Li, Ying Xu, Xiaolin Wei, Wen‐Jin Yin, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2022

The Role of Thermal Fluctuations and Vibrational Entropy: A Theoretical Insight into the δ-to-α Transition of FAPbI3

Junwen Yin, Gilberto Teobaldi, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2022

Nonadiabatic Dynamics of Polaron Hopping and Coupling with Water on Reduced TiO2

Zhongfei Xu, Chuan‐Jia Tong, Rutong Si, Gilberto Teobaldi, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2021

Valence oscillation and dynamic active sites in monolayer NiCo hydroxides for water oxidation

Jianxin Kang, Xiaoyi Qiu, Qi Lin Hu, Jun Bo Zhong, Xiang Gao, Rong Tan Huang, Chengzhang Wan, Limin Liu, Xiangfeng Duan, Lin Guo

Nature Catalysis

DOI

2021

Amorphous Domains in Black Titanium Dioxide

Jianxin Kang, Jianfeng Zhang, Ziwei Chai, Xiaoyi Qiu, Xingzhong Cao, Peng Zhang, Gilberto Teobaldi, Limin Liu, Lin Guo

Advanced Materials

DOI

2021

New Insight of Pyrrole‐Like Nitrogen for Boosting Hydrogen Evolution Activity and Stability of Pt Single Atoms

Lei Zhang, Qi Wang, Rutong Si, Zhongxin Song, Xiaoting Lin, Mohammad Norouzi Banis, Keegan R. Adair, Junjie Li, Kieran Doyle‐Davis, Ruying Li, Limin Liu, Meng Danny Gu, Xueliang Andy Sun

Small

DOI

2021

Recent advances in low-dimensional Janus materials: theoretical and simulation perspectives

Wen‐Jin Yin, Hua-Jian Tan, Peijia Ding, Bo Wen, Xi‐Bo Li, Gilberto Teobaldi, Limin Liu

Materials Advances

DOI

2021

Structure and Oxygen Evolution Activity of β-NiOOH: Where Are the Protons?

Qi Lin Hu, Yufeng Xue, Jianxin Kang, Iván Scivetti, Gilberto Teobaldi, Annabella Selloni, Lin Guo, Limin Liu

ACS Catalysis

DOI

2021

Subspace Occupancy-Constraining Potentials for Modeling Polaron Formation

Ziwei Chai, Gilberto Teobaldi, Rutong Si, Limin Liu

The Journal of Physical Chemistry C

DOI

2021

Origin of hetero-nuclear Au-Co dual atoms for efficient acidic oxygen reduction

Fanpeng Kong, Rutong Si, Ning Chen, Qi Wang, Qi Wang, Junjie Li, Geping Yin, Meng Gu, Jiajun Wang, Limin Liu, Xueliang Andy Sun

Applied Catalysis B: Environmental

DOI

2020

Synergy between Ion Migration and Charge Carrier Recombination in Metal-Halide Perovskites

Chuan‐Jia Tong, Linqiu Li, Limin Liu, Oleg V. Prezhdo

Journal of the American Chemical Society

DOI

2020

The unique carrier mobility of Janus MoSSe/GaN heterostructures

Wen‐Jin Yin, Xiaolong Zeng, Bo Wen, Qingxia Ge, Ying Xu, Gilberto Teobaldi, Limin Liu

Frontiers of Physics

DOI

2020

Engineering the Low Coordinated Pt Single Atom to Achieve the Superior Electrocatalytic Performance toward Oxygen Reduction

Zhongxin Song, Yanan Zhu, Hanshuo Liu, Mohammad Norouzi Banis, Lei Zhang, Junjie Li, Kieran Doyle‐Davis, Ruying Li, Tsun‐Kong Sham, Lijun Yang, Alan Young, Gianluigi A. Botton, Limin Liu, Xueliang Andy Sun

Small

DOI

2020

Realizing Few‐Layer Iodinene for High‐Rate Sodium‐Ion Batteries

Mengmeng Qian, Zhongfei Xu, Zhongchang Wang, Bin Wei, Hua Wang, Shu‐Xian Hu, Limin Liu, Lin Guo

Advanced Materials

DOI

2020

Theoretical Progress on the Relationship between the Structures and Properties of Perovskite Solar Cells

Wei Geng, Chuan‐Jia Tong, Yanning Zhang, Limin Liu

Advanced Theory and Simulations

DOI

2020

Subnano Ruthenium Species Anchored on Tin Dioxide Surface for Efficient Alkaline Hydrogen Evolution Reaction

Wujie Dong, Yajing Zhang, Jie Xu, Junwen Yin, Shuying Nong, Chenlong Dong, Zichao Liu, Bowei Dong, Limin Liu, Rui Si, Mingyang Chen, Jun Luo, Fuqiang Huang

Cell Reports Physical Science

DOI

2020

The oxygen vacancy in Li-ion battery cathode materials

Zhen‐Kun Tang, Yufeng Xue, Gilberto Teobaldi, Limin Liu

Nanoscale Horizons

DOI

2020

Water-Hydrogen-Polaron Coupling at Anatase TiO2(101) Surfaces: A Hybrid Density Functional Theory Study

Yanan Zhu, Gilberto Teobaldi, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2020

Self-Induced Strain in 2D Chalcogenide Nanocrystals with Enhanced Photoelectrochemical Responsivity

Xuelian Yu, Yuxuan Wu, Jiayi Cui, Yue Ran, Wei Jie Lin, Limin Liu, Jinhua Ye, Yihe Zhang, Andreu Cabot

Chemistry of Materials

DOI

2019

Author Correction: Atomic layer deposited Pt-Ru dual-metal dimers and identifying their active sites for hydrogen evolution reaction

Lei Zhang, Rutong Si, Hanshuo Liu, Ning Chen, Qi Wang, Keegan R. Adair, Zhiqiang Wang, Jiatang Chen, Zhongxin Song, Junjie Li, Mohammad Norouzi Banis, Ruying Li, Tsun‐Kong Sham, Meng Danny Gu, Limin Liu, Gianluigi A. Botton, Xueliang Andy Sun

Nature Communications

DOI

2019

Atomic layer deposited Pt-Ru dual-metal dimers and identifying their active sites for hydrogen evolution reaction

Nature Communications

DOI

2019

Injection of oxygen vacancies in the bulk lattice of layered cathodes

Pengfei Yan, Jianming Zheng, Zhen‐Kun Tang, Arun Devaraj, Guoying Chen, Khalil Amine, Ji‐Guang Zhang, Limin Liu, Chongmin Wang

Nature Nanotechnology

DOI

2019

Rational molecular passivation for high-performance perovskite light-emitting diodes

Weidong Xu, Qi Lin Hu, Sai Bai, Chunxiong Bao, Yanfeng Miao, Zhongcheng Yuan, Tetiana Borzda, Alex J. Barker, Elizaveta Tiukalova, Zhangjun Hu, Maciej Kawecki, Heyong Wang, Z. B. Yan, Xianjie Liu, Xiaobo Shi, Kajsa Uvdal, Mats Fahlman, Wenjing Zhang, Martial Duchamp, Jun‐Ming Liu, Annamaria Petrozza, Jianpu Wang, Limin Liu, Wei Huang, Feng Gao

Nature Photonics

DOI

2019

−60 °C solution synthesis of atomically dispersed cobalt electrocatalyst with superior performance

Kai Huang, Le Zhang, Ting Xu, Hehe Wei, Ruoyu Zhang, Xiaoyuan Zhang, Binghui Ge, Ming Lei, Jing-Yuan Ma, Limin Liu, Hui Wu

Nature Communications

DOI

2019

The Influence of Dipole Moments Induced by Organic Molecules and Domain Structures on the Properties of CH3NH3PbI3 Perovskite

Wei Geng, Qi Lin Hu, Chuan‐Jia Tong, Zhen‐Kun Tang, Limin Liu

Advanced Theory and Simulations

DOI

2019

Understanding the Influence of Cation Doping on the Surface Chemistry of NaTaO3 from First Principles

Zhen‐Kun Tang, Cristiana Di Valentin, Xunhua Zhao, Limin Liu, Annabella Selloni

ACS Catalysis

DOI

2019

Suppressed Carrier Recombination in Janus MoSSe Bilayer Stacks: A Time-Domain Ab Initio Study

Bing Song, Limin Liu, ChiYung Yam

The Journal of Physical Chemistry Letters

DOI

2018

Well-Dispersed Ruthenium in Mesoporous Crystal TiO 2 as an Advanced Electrocatalyst for Hydrogen Evolution Reaction

Shuying Nong, Wujie Dong, Junwen Yin, Bowei Dong, Yue Lu, Xiaotao Yuan, Xin Wang, Kejun Bu, Mingyang Chen, Shang‐Da Jiang, Limin Liu, Manling Sui, Fuqiang Huang

Journal of the American Chemical Society

DOI

2018

Self-hydrogenated shell promoting photocatalytic H2 evolution on anatase TiO2

Yue Lu, Wen‐Jin Yin, Kai-Lin Peng, Kuan Wang, Qi Lin Hu, Annabella Selloni, Fu‐Rong Chen, Limin Liu, Manling Sui

Nature Communications

DOI

2018

Efficient design principle for interfacial charge separation in hydrogen-intercalated nonstoichiometric oxides

Zhenao Gu, Le Zhang, Bo Wen, Xiaoqiang An, Huachun Lan, Limin Liu, Tao Chen, Jing Zhang, Xingzhong Cao, Junwang Tang, Huijuan Liu, Jiuhui Qu

Nano Energy

DOI

2018

Janus MoSSe Nanotubes: Tunable Band Gap and Excellent Optical Properties for Surface Photocatalysis

Zhen‐Kun Tang, Bo Wen, Mingyang Chen, Limin Liu

Advanced Theory and Simulations

DOI

2018

Multi-electric field modulation for photocatalytic oxygen evolution: Enhanced charge separation by coupling oxygen vacancies with faceted heterostructures

Tingcha Wei, Yanan Zhu, Zhenao Gu, Xiaoqiang An, Limin Liu, Yuxuan Wu, Huijuan Liu, Junwang Tang, Jiuhui Qu

Nano Energy

DOI

2018

Effect of Single-Atom Cocatalysts on the Activity of Faceted TiO 2 Photocatalysts

Tingcha Wei, Yanan Zhu, Yuxuan Wu, Xiaoqiang An, Limin Liu

Langmuir

DOI

2018

Rational Design of Ultrasmall Au Nanoparticles on Fe via Galvanic Replacement Under −60 °C for Efficient Methanol Oxidation Reaction Catalyst

Shanpeng Wang, Junwen Yin, Hehe Wei, Kai Huang, Limin Liu, Hui Wu

ACS Applied Energy Materials

DOI

2018

Defects, Adsorbates, and Photoactivity of Rutile TiO2 (110): Insight by First-Principles Calculations

Bo Wen, Wen‐Jin Yin, Annabella Selloni, Limin Liu

The Journal of Physical Chemistry Letters

DOI

2018

A highly stable bifunctional catalyst based on 3D Co(OH)2@NCNTs@NF towards overall water-splitting

Pan Guo, Jian Wu, Xi‐Bo Li, Jun Luo, Woon‐Ming Lau, Hao Liu, Hao Liu, Xueliang Andy Sun, Limin Liu

Nano Energy

DOI

2014

镁合金长周期堆垛有序相的计算模拟

马尚义，刘利民，王绍青

《数据与计算发展前沿(中英文)》

2006

汽车尾气中CO净化的催化机理

刘利民，王绍青

《中国基础科学》

2006

氧原子在γ-TiAl(111)表面吸附的第一性原理研究

李虹，刘利民，王绍青，叶恒强

《金属学报》

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Sintering behavior and electrochemical properties of TiO2-doped Na-β″-Al2O3 solid electrolytes

Samarium nitrate additive strategy for dendrite- free zinc deposition in advanced aqueous zinc-ion batteries

Investigation on the performance of Fe/co codoped Gd-doped ceria for anode and barrier layer in solid oxide fuel cells

Spray drying and carbon coating coupling process to enhance sodium storage kinetics of Na3V2(PO4)3/C

Potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction

Effect of the hydrogen distribution of Ni–Fe hydroxide on the oxygen evolution reaction

Methanolzersetzung auf TiO 2 unter Umgebungsbedingungen: Kooperativer Protonentransfer an hydratisierten Grenzflächen

Methanol Decomposition on TiO 2 Under Ambient Conditions: Cooperative Proton Transfer at Hydrated Interfaces

Transient Regulation of Crystallization via Volatile Additives to Obtain High‐Quality Perovskite Films

An Efficient On-the-Fly Nonadiabatic Coupling Framework Integrated into CP2K

Realizing ultrafast Li-ion transport through electronegative nanochannels for high-rate lithium metal battery

Understanding the Origin of High Quantum Efficiency in Photocatalytic Water Splitting of Al-Doped SrTiO3 from First-Principles Calculations

Efficient Electrochemical Urea Synthesis From CO 2 and N 2 in Moderate Pressure

Synergistic enhancement of bilayer NiOOH catalytic activity for oxygen evolution reaction via interface and Fe doping: insights from first-principles calculations

Proton Ceramic Membrane Reactor: Preparation and Low-temperature Ammonia Decomposition Performance

A novel gel electrolyte with a wide electrochemical window and high stability for sodium metal batteries

Simultaneously improving sodium ionic conductivity and dendrite behavior of NaSICON ceramics by grain-boundary modification

Nominal Lanthanum Niobate, a Versatile Additive for Reducing Grain Boundary Resistance in Conductive Ceramics

The performance of Cu₃P/TiO₂ nanotube as a novel photoelectrocatalyst for water electrolysis in alkaline medium

Doping of manganese hexacyanoferrate with cobalt for improving electrochemical performance in high-energy sodium-ion batteries

Conductive NaTi2(PO4)3/C nanocomposite by spray drying for enhanced sodium energy storage

Ion‐Exchange Synthesis of Low‐Water Prussian Blue Analogs for Enhanced Sodium Storage

Electrochemical performance of a low-temperature solid oxide fuel cells with cobalt-based perovskite as the cathode

In Situ Identification of Dynamic Active Sites in the Electrocatalytic Nitrate Reduction Reaction

Antiferroelectric SnO 2 Network with Amorphous Surface for Electrochemical N 2 Fixation

Water induced redistribution of polarons in rutile TiO2(011)-(2 × 1)

Testing, quantification, in situ characterization and calculation simulation for electrocatalytic nitrate reduction

Amorphous monolayer CuPd catalysts for selective semihydrogenation

Relevance of the electronic structure of the substrate to O 2 molecule adsorption on Fe-N-C single-atom catalysts under electrochemical potential

How amorphous CoOx(OH)y-Pd nanocomposite endows high performance and durability in methanol oxidation reaction

Boron Doping‐Induced Ultrahigh Ce 3+ Ratio in Amorphous CeO 2 /GO Catalyst for Low‐Concentration CO 2 Photoreduction

A Unique Descriptor for Electron Polaron Migration: Larmor Radius

Hierarchical α-MnO2@LaxMn1-xO2-δ core–shell nanostructure cathode for high-performance aqueous Zn-ion batteries

Nb-doped Na0.75Co0.20Mn0.78Nb0.02O2 cathode with excellent cyclability for Na-ion batteries

High-Performance Low-Temperature Solid Oxide Fuel Cell with a Pt@C–Ni0.8Co0.15Al0.05LiO2−δ Composite Cathode

Stable zinc metal electrodeposition based on uniformly porous yttria-stabilized zirconia ceramic separator for aqueous zinc ion battery

Conductivity behavior of Na5YSi4O12 and its typical structural analogues by solution-assisted solid-state reaction for solid-state sodium battery

Multiscale observations on mechanisms for direct regeneration of degraded NCM cathode materials

Publisher Correction: Nitrogen-doped amorphous monolayer carbon

Nitrogen-doped amorphous monolayer carbon

High-Valence Cu Induced by Photoelectric Reconstruction for Dynamically Stable Oxygen Evolution Sites

Amorphous Bismuth–Tin Oxide Nanosheets with Optimized C–N Coupling for Efficient Urea Synthesis

Atomic Phosphorus Sites for Anchoring Platinum–Tungsten Dimers to Facilitate Proton Transfer in All‐pH Hydrogen Evolution

Recent progress in amorphous nanomaterials for electrochemical synthesis of N-containing compounds

Optimizing Molecular Passivation in MAPbI3 Perovskites: Impact of Dipole Moments and Structural Parameters

Detrimental Defect Cooperativity at TiO 2 /CH 3 NH 3 PbI 3 Interface: Decreased Stability, Enhanced Ion Diffusion, and Reduced Charge Lifetime and Transport

Minimum Tracking Linear Response Hubbard and Hund Corrected Density Functional Theory in CP2K

Circumventing the Theoretical Scaling Relation Limit for the Oxygen Evolution Reaction

Efficient C–N coupling in the direct synthesis of urea from CO 2 and N 2 by amorphous Sb x Bi 1-x O y clusters

Parallel Nanosheet Arrays for Industrial Oxygen Production

Tuning Octahedral Tilting by Doping to Prevent Detrimental Phase Transition and Extend Carrier Lifetime in Organometallic Perovskites

Distribution of high valence Fe sites in nickel–iron hydroxide catalysts for water oxidation

Activating Bi p‐orbitals in Dispersed Clusters of Amorphous BiOx for Electrocatalytic Nitrogen Reduction

Recent Progress of Amorphous Nanomaterials

Synergetic enhancement of selectivity for electroreduction of CO2 to C2H4 by crystal facet engineering and tandem catalysis over silver-incorporated-cuprous oxides

Oxygen Vacancy Diffusion in Rutile TiO2: Insight from Deep Neural Network Potential Simulations

Hybrid Lamellar Superlattices with Monoatomic Platinum Layers and Programmable Organic Ligands

Atomic Replacement of PtNi Nanoalloys within Zn-ZIF-8 for the Fabrication of a Multisite CO2 Reduction Electrocatalyst

Realizing Two-Electron Transfer in Ni(OH)2 Nanosheets for Energy Storage

How Hole Injection Accelerates Both Ion Migration and Nonradiative Recombination in Metal Halide Perovskites

Highly Active and Stable Li2S−Cu Nanocomposite Cathodes Enabled by Kinetically Favored Displacement Interconversion between Cu2S and Li2S

The role of permanent and induced electrostatic dipole moments for Schottky barriers in Janus MXY/graphene heterostructures: a first-principles study

Crucial Role of Crystal Field on Determining the Evolution Process of Janus MoSSe Monolayer: A First-Principles Study

The Role of Thermal Fluctuations and Vibrational Entropy: A Theoretical Insight into the δ-to-α Transition of FAPbI3

Nonadiabatic Dynamics of Polaron Hopping and Coupling with Water on Reduced TiO2

Valence oscillation and dynamic active sites in monolayer NiCo hydroxides for water oxidation

Amorphous Domains in Black Titanium Dioxide

New Insight of Pyrrole‐Like Nitrogen for Boosting Hydrogen Evolution Activity and Stability of Pt Single Atoms

Recent advances in low-dimensional Janus materials: theoretical and simulation perspectives

Structure and Oxygen Evolution Activity of β-NiOOH: Where Are the Protons?

Subspace Occupancy-Constraining Potentials for Modeling Polaron Formation

Origin of hetero-nuclear Au-Co dual atoms for efficient acidic oxygen reduction

Synergy between Ion Migration and Charge Carrier Recombination in Metal-Halide Perovskites

The unique carrier mobility of Janus MoSSe/GaN heterostructures

Engineering the Low Coordinated Pt Single Atom to Achieve the Superior Electrocatalytic Performance toward Oxygen Reduction

Realizing Few‐Layer Iodinene for High‐Rate Sodium‐Ion Batteries

Theoretical Progress on the Relationship between the Structures and Properties of Perovskite Solar Cells

Subnano Ruthenium Species Anchored on Tin Dioxide Surface for Efficient Alkaline Hydrogen Evolution Reaction