易文才｜曲阜师范大学｜学者主页

2026

Single-crystal-ordered-mesoporous metal nitrides without intrinsic Raman signals for highly sensitive SERS detection

Linchangqing Yang, Yijing Zong, Meng Yin, Wencai Yi, Jun-Fang Li, Jie Lin, Qinghong Kong, Guangcheng Xi

Chemical Science

DOI

2026

Beyond adsorption energy: a key framework to distinguish adsorption types

Zhi-Xiu Wang, Jing Zhang, Lei Zhao, Wencai Yi

Vacuum

DOI

2025

Achieving high-energy-density crown-like polymeric nitrogen cr-N via chelate CeN8

Yuanyuan Wang, Hongpeng Zhang, Shuang Liu, Huimin Zhang, Peng Wang, Wencai Yi, Zhen Yao, Nan Li, Xiaobing Liu, Bingbing Liu

Science China Chemistry

2025

GASCAP: Accelerating Adsorption Evaluation Using Graph Voronoi Diagram and Machine Learning Method

Wencai Yi, Jiping Xiong, Xingang Jiang, YuQiu Zhang, Chaozheng He, Xiaobing Liu

Materials Genome Engineering Advances

DOI

2025

Enhancing the energy density of CNO compounds through distorted carbon tetrahedra

Yiqing Cao, Guanghui Zhang, YuQiu Zhang, Bo Zhao, Shengli Zhang, Wencai Yi, Xiaobing Liu

Applied Physics Letters

DOI

2025

Theoretical prediction of pressure-stabilized all-nitrogen N12 molecular crystals with π-π stacking.

Lei Zhao, Ze-Lin Ma, Daoling Peng, Feng-Long Gu, Wencai Yi

Physical Chemistry, Chemical Physics - PCCP

DOI

2024

Two-Orders-of-Magnitude Enhancement of SERS Activity via a Simple Surface Engineering of Quasi-Metal Single-Crystal Frameworks.

Xiaoyu Song, Ya-Hui Li, Meng Yin, Wencai Yi, Wei Liu, Jun-Fang Li, Guang-Cheng Xi

Nano letters (Print)

DOI

2024

Transforming Nanoarchitectonics of Solvated Fullerene Single Crystals into Ultrahigh Specific Surface Area C60 Microtubes for Exceptional Raman Sensing Performances

Linchangqing Yang, Meng Yin, Wencai Yi, Jun-Fang Li, Ya-Hui Li, Wei Liu, Qinghong Kong, Guang-Cheng Xi

ACS Materials Letters

DOI

2023

Cerium-promoted conversion of dinitrogen into high-energy-density material CeN6 under moderate pressure

Yuanyuan Wang, Zhi-Hui Li, Shifeng Niu, Wencai Yi, Shuang Liu, Zhen Yao, Bingbing Liu

Matter and Radiation at Extremes

DOI

2023

Enhancement of NO2 Gas Sensing Properties of Polypyrrole by Polarization Doping with DBS: Experimental and DFT Studies.

Hai-Ying Du, Zhao-Rui Zhang, Xin-Gang Jiang, Jing Wang, Wencai Yi, Xiao-Gan Li, Jinkui Chu

ACS Applied Materials and Interfaces

DOI

2023

New oxide structures clearing up the origin of two-dimensional electron gas in AlGaN/GaN heterostructures.

Zhi-Xiu Wang, Wencai Yi, Yiqing Cao, Mao-Sheng Miao, Jing-Yao Liu

Journal of Chemical Physics

DOI

2023

Surfactant-free interfacial growth of graphdiyne hollow microspheres and the mechanistic origin of their SERS activity

Lu Zhang, Wencai Yi, Jun-Fang Li, Guo-Ying Wei, Guang-Cheng Xi, Lan-Qun Mao

Nature Communications

DOI

2023

ZnGeSe2 monolayer: water-splitting photocatalyst with ultrahigh solar conversion efficiency.

Guo-Ting Nan, Wei Zhang, Xiao-Jun Yan, Xi Qin, Song Wu, R. Tang, Mingyu Tang, Lei Hu, Li-Li Liu, Shifa Wang, Yuming Feng, Wencai Yi

Physical Chemistry, Chemical Physics - PCCP

DOI

2023

Highly robust and flexible micro-supercapacitors based on medium-entropy carbide nanowires toward sub-ambient temperature operation

Xiang-Jun Li, Bing-Chao Yang, Xiao-Ran Zhang, Shuai Duan, Xin-Gang Jiang, Meng-Dong Ma, Wencai Yi, Hai-Rui Sun, Zhixiu Wang, Yan-Hui Chu, Xiao-Bing Liu

Journal of Power Sources

DOI

2023

General Synthesis of Large‐Area Transition Metal Nitride Porous Arrays for Highly Sensitive Surface‐Enhanced Raman Scattering Substrates with Ultrahigh Durability

Xinqiao Teng, Meng-Yuan Wei, Wencai Yi, Jun-Fang Li, Meng Yin, Guang-Cheng Xi

Small Structures

DOI

2023

High-Quality 2D SnP3 Nanosheets: Novel Flexible Electrode for Energy Storage Device Application with Wide Temperature Adaptivity

Miaomiao Yan, Bingchao Yang, Xiujie Sun, Zhi-Xiu Wang, Xin-Gang Jiang, Wencai Yi, Hai-Rui Sun, Rui-Long Yang, Hao Ding, Dongdong Yue, Kun Zhai, Yueqing Li, Xin Chen, Yong-Sheng Zhang, Xiao-Bing Liu

ACS Materials Letters

DOI

2023

Synthesis of Graphdiyne Hollow Spheres and Multiwalled Nanotubes and Applications in Water Purification and Raman Sensing.

Lu Zhang, Jun-Fang Li, Wencai Yi, Guoying Wei, Meng Yin, Guang-Cheng Xi

Nano letters (Print)

DOI

2022

A Metallic Niobium Nitride with Open Nanocavities for Surface-Enhanced Raman Spectroscopy.

Jing-Bin Li, Jun-Fang Li, Wencai Yi, Meng Yin, Yanling Fu, Guang-Cheng Xi

Analytical Chemistry

DOI

2022

In Situ Surface Restraint-Induced Synthesis of Transition-Metal Nitride Ultrathin Nanocrystals as Ultrasensitive SERS Substrate with Ultrahigh Durability.

Damin Liu, Wencai Yi, Yanling Fu, Qinghong Kong, Guang-Cheng Xi

ACS Nano

DOI

2022

Plasmonic Rare-Earth Nanosheets as Surface Enhanced Raman Scattering Substrates with High Sensitivity and Stability for Multicomponent Analysis.

Jing-Bin Li, Wencai Yi, Meng Yin, Hai-Feng Yang, Jun-Fang Li, Ya-Hui Li, Zhiwei Jiao, Hua-Hua Bai, M. Zou, Guang-Cheng Xi

ACS Nano

DOI

2022

α-In2O3 Monolayer: A Promising Material as Field-Effect Phototransistor and Out-of-Plane Piezoelectric Device

Wenyuan Li, Xiaojun Yan, Xing Zou, Lili Liu, Shifa Wang, Yong Wei, Xin-Yi Yang, Lei Hu, Yuming Feng, Wencai Yi

Applications of Surface Science

DOI

2022

Enhanced Thermoelectric Performance in Black Phosphorene via Tunable Interlayer Twist.

Shuai Duan, Yangfan Cui, Wencai Yi, Xin Chen, Bing-Chao Yang, Xiao-Bing Liu

Small

DOI

2022

A novel all-nitrogen molecular crystal N16 as a promising high-energy-density material.

Lei Zhao, Shi-Jie Liu, Yuanzheng Chen, Wencai Yi, Darlar Khodagholian, Feng-Long Gu, Eric P. Kelson, Yonghao Zheng, Bing-Bing Liu, Mao-sheng Miao

Dalton Transactions

DOI

2022

Penta-BeP2 Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility.

Xin-Gang Jiang, Guanghui Zhang, Wencai Yi, T. Yang, Xiao-Bing Liu

ACS Applied Materials and Interfaces

DOI

2022

Novel Two-Dimensional ABX3 Dirac Materials: Achieving a High-Speed Strain Sensor via a Self-Doping Effect.

Xin-Gang Jiang, T. Yang, Ge Fei, Wencai Yi, Xiao-Bing Liu

Journal of Physical Chemistry Letters

DOI

2021

Diffusionless‐Like Transformation Unlocks Pseudocapacitance with Bulk Utilization: Reinventing Fe2O3 in Alkaline Electrolyte

Taowen Dong, Wencai Yi, T. Deng, T. Qin, Xianyu Chu, He Yang, Li-Rong Zheng, Seung Jo Yoo, Jin-Gyu Kim, Zi-Zhun Wang, Yan Wang, Wei Zhang, Wei-Tao Zheng

Energy & Environmental Materials

DOI

2021

g-SiC6 Monolayer: A New Graphene-like Dirac Cone Material with a High Fermi Velocity

Tao Yang, Xin-Gang Jiang, Wencai Yi, Xiao-Min Cheng, Xiao-Bing Liu

2021

Selective Preparation of Mo2N and MoN with High Surface Area for Flexible SERS Sensing.

Xiao-Yu Song, Wencai Yi, Jun-Fang Li, Qinghong Kong, H. Bai, Guang-Cheng Xi

Nano letters (Print)

DOI

2021

Novel 2D porous C3N2 framework as promising anode material with ultra-high specific capacity for lithium-ion batterIes

Xin-Yong Cai, Wencai Yi, Jiao Chen, Lin-Guo Lu, Bai Sun, Y. Ni, Hongyan Wang, Simon A. T. Redfern, Zhongfang Chen, Yuanzheng Chen

Journal of Materials Chemistry A

DOI

2021

General Microwave Route to Single-Crystal Porous Transition Metal Nitrides for Highly Sensitive and Stable Raman Scattering Substrates.

Damin Liu, Xiaoying Song, Wencai Yi, Ya-Hui Li, Qinghong Kong, Hua-Hua Bai, M. Zou, Guang-Cheng Xi

Nano letters (Print)

DOI

2021

Superior Conversion Efficiency Achieved in GeP3/h-BN Heterostructures as Novel Flexible and Ultralight Thermoelectrics.

Shuai Duan, Yangfan Cui, Wencai Yi, Xin Chen, Bing-Chao Yang, Xiao-Bing Liu

ACS Applied Materials and Interfaces

DOI

2021

Prediction of enhanced thermoelectric performance in two-dimensional black phosphorus nanosheets

Yangfan Cui, Shuai Duan, Xin Chen, Man-Man Yang, Bing-Chao Yang, Wencai Yi, Xiao-Bing Liu

DOI

2021

Hydrogenated group IV-V monolayer HAB6: A new type of Dirac material constructed by isoelectronic rule

Hong-Yan Lu, N. Jiao, Bing Li, Wencai Yi, Ping Zhang

Applications of Surface Science

DOI

2021

A g-SiC6 monolayer and its analogs: A new class of tunable dirac cone materials and novel quantum spin hall insulators

Tao Yang, Xin-Gang Jiang, Wencai Yi, Xiao-Min Cheng, Xiao-Bing Liu

Applications of Surface Science

DOI

2021

Nitrogen-Doped Titanium Monoxide Flexible Membrane for a Low-Cost, Biocompatible, and Durable Raman Scattering Substrate.

Jing-Bin Li, Wencai Yi, Ya-Hui Li, Wei Liu, Hua-Hua Bai, Zhiwei Jiao, Yuan-Jian Zhang, Xiaotian Wang, M. Zou, Guang-Cheng Xi

Analytical Chemistry

DOI

2021

Enhanced fast response to Hg0 by adsorption-induced electronic structure evolution of Ti2C nanosheet

Tao Yang, Xin-Gang Jiang, Wencai Yi, Xiao-Min Cheng, T. Cheng

DOI

2021

ABX6 Monolayers: A new Dirac material family containing high Fermi velocities and topological properties

Wencai Yi, Xin-Gang Jiang, Zhixiu Wang, Tao Yang, Bing-Chao Yang, Xiao-Bing Liu

Applications of Surface Science

DOI

2021

Rapid fabrication of hierarchical porous SiC/C hybrid structure: toward high-performance capacitive energy storage with ultrahigh cyclability

Bing-Chao Yang, Rongxin Sun, Xiang-Jun Li, Meng-Dong Ma, Xiao-Ran Zhang, Zhixiu Wang, Wencai Yi, Zhuo Zhang, Ruilong Yang, Hai-Rui Sun, Guoying Gao, Yan-Hui Chu, Zhi-Sheng Zhao, Xiao-Bing Liu

Journal of Materials Science

DOI

2021

Investigation of Ammonia-sensing Mechanism on Polypyrrole Gas Sensor Based on Experimental and Theoretical Evidence

Zhao-Rui Zhang, Hai-Ying Du, Wencai Yi, Yan-Hui Sun, Yan-Gong Zheng, Yu-Xiang Wu, Shupeng Sun, Shuaikang Xu

Sensors and materials

DOI

2021

General molten-salt route to three-dimensional porous transition metal nitrides as sensitive and stable Raman substrates

Haomin Guan, Wentao Li, Jing Han, Wencai Yi, H. Bai, Qinghong Kong, Guang-Cheng Xi

Nature Communications

DOI

2021

Study on hydrodeoxygenation mechanism of anisole over Ni (111) by first-principles calculation

Chen Zhu, Jing-Pei Cao, Zhen Yang, Xiao-Yan Zhao, Wencai Yi, Xiao-Bo Feng, Yun-Peng Zhao, Hongcun Bai

DOI

2020

Low temperature synthesis of plasmonic molybdenum nitride nanosheets for surface enhanced Raman scattering

Haomin Guan, Wencai Yi, Tao Li, Ya-Hui Li, Jun-Fang Li, H. Bai, Guang-Cheng Xi

Nature Communications

DOI

2020

Quasi-metallic Tungsten Oxide Nanodendrites with High Stability for Surface-Enhanced Raman Scattering

Yu-Ting Ye, Chao Chen, H. Bai, Wei Liu, Wentao Li, Jun-Fang Li, Wencai Yi, Guang-Cheng Xi

DOI

2020

Packing high-energy together: Binding the power of pentazolate and high-valence metals with strong bonds

Wencai Yi, Lei Zhao, Xiao-Bing Liu, Xin Chen, Yonghao Zheng, M. Miao

DOI

2020

Prediction of stable energetic beryllium pentazolate salt under ambient conditions

Zhixiu Wang, Tao Yang, Bing-Chao Yang, Wencai Yi

CrysteEngComm

DOI

2020

Enhanced Thermoelectric Performance in Black Phosphorus Nanotubes by Band Modulation through Tailoring Nanotube Chirality.

Xin Chen, Shuai Duan, Wencai Yi, David J. Singh, Jiangang Guo, Xiao-Bing Liu

Small

DOI

2020

Predicted stable Li5P2 and Li4P at ambient pressure: novel high-performance anodes for lithium-ion batteries.

Ge Fei, Shuai Duan, Ming-Xin Zhang, Ze-Bin Ren, Yangfan Cui, Xin Chen, Yun-Xian Liu, Wencai Yi, Xiao-Bing Liu

Physical Chemistry, Chemical Physics - PCCP

DOI

2020

Stabilization of the High-Energy-Density CuN5 Salts under Ambient Conditions by a Ligand Effect

Wencai Yi, Ke-Fan Zhao, Zhixiu Wang, Bing-Chao Yang, Zhen Liu, Xiao-Bing Liu

ACS Omega

DOI

2020

Two-dimensional type-II g-C3N4/SiP-GaS heterojunctions as water splitting photocatalysts: first-principles predictions.

Lei Hu, Wencai Yi, T. Rao, Jianting Tang, Chuan-Bo Hu, Huawei Yin, Haiyan Hao, Lei Zhang, Chuan-Jiang Li, Tingzhen Li

Physical Chemistry, Chemical Physics - PCCP

DOI

2020

Liquid phase exfoliation of bismuth nanosheets for flexible all-solid-state supercapacitors with high energy density

Bing-Chao Yang, Xiang-Jun Li, Yong Cheng, Shuai Duan, Bo Zhao, Wencai Yi, Chao Wang, Hai-Rui Sun, Zhixiu Wang, Da-Peng Gu, Suwen Chen, Xiao-Bing Liu

Journal of Materials Chemistry C

DOI

2020

Remarkable surface-enhanced Raman scattering of highly crystalline monolayer Ti3C2 nanosheets

Yu-Ting Ye, Wencai Yi, Wei Liu, Yun Zhou, H. Bai, Jun-Fang Li, Guang-Cheng Xi

Science China Materials

DOI

2020

qvasp: A flexible toolkit for VASP users in materials simulations

Wencai Yi, G. Tang, Xin Chen, Bing-Chao Yang, Xiao-Bing Liu

Computer Physics Communications

DOI

2020

Quasi-Metal Microwave Route to MoN and Mo2C Ultrafine Nanocrystalline Hollow Spheres as Surface Enhanced Raman Scattering Substrates.

Rui-Feng Du, Wencai Yi, Wentao Li, Hai-Feng Yang, H. Bai, Jun-Fang Li, Guang-Cheng Xi

ACS Nano

DOI

2020

Crystalline Structures and Energetic Properties of Lithium Pentazolate under Ambient Conditions

Wencai Yi, Xin-Gang Jiang, Tao Yang, Bing-Chao Yang, Zhen Liu, Xiao-Bing Liu

ACS Omega

DOI

2019

Reduction of NO with CO on the Co3O4(110)-B and CoO(110) Surfaces: A First-Principles Study

Xin Jin, Li-yuan Huai, Hong Wen, Wencai Yi, Jing-Yao Liu

Journal of Physical Chemistry C

DOI

2019

Ultrahigh Thermoelectric Performance Realized in Black Phosphorus System by Favorable Band Engineering through Group VA Doping

Shuai Duan, Yangfan Cui, Xin Chen, Wencai Yi, Yun-Xian Liu, Xiao-Bing Liu

Advanced Functional Materials

DOI

2019

A novel two-dimensional δ-InP3 monolayer with high stability, tunable bandgap, high carrier mobility, and gas sensing of NO2

Wencai Yi, Xin Chen, Zhixiu Wang, Ying-Chun Ding, Bing-Chao Yang, Xiao-Bing Liu

Journal of Materials Chemistry C

DOI

2019

Quasi-Metal for Highly Sensitive and Stable Surface-Enhanced Raman Scattering

Zheng Tian, H. Bai, Chao Chen, Yu-Ting Ye, Qinghong Kong, Ya-Hui Li, Wen-Hao Fan, Wencai Yi, Guang-Cheng Xi

iScience

DOI

2019

Planar graphitic ZnS, buckling ZnS monolayers and rolled-up nanotubes as nonlinear optical materials: first-principles simulation

Lei Hu, Wencai Yi, Jianting Tang, T. Rao, Zuju Ma, Chuan-Bo Hu, Lei Zhang, Tingzhen Li

RSC Advances

DOI

2019

Ni anchored C2N monolayers as low-cost and efficient catalysts for hydrogen production from formic acid

Qiming Bing, Wei Liu, Wencai Yi, Jing-Yao Liu

Journal of Power Sources

DOI

2019

Alternative to Noble Metal Substrates: Metallic and Plasmonic Ti3O5 Hierarchical Microspheres for Surface Enhanced Raman Spectroscopy.

Ya-Hui Li, H. Bai, Junfeng Zhai, Wencai Yi, Jun-Fang Li, Hai-Feng Yang, Guang-Cheng Xi

Analytical Chemistry

DOI

2018

基于结构搜索算法的二维材料结构设计及电子结构计算

易文才

《吉林大学》

2018

A highly sensitive and stable SERS substrate using hybrid tungsten dioxide/carbon ultrathin nanowire beams

C. He, H. Bai, Wencai Yi, Jingyao Liu, Xinshi Li, Xia Li, Guang-Cheng Xi

DOI

2018

Microporosity as a new property control factor in graphene-like 2D allotropes

Wencai Yi, W. Liu, J. Botana, Jing-Yao Liu, M. Miao

DOI

2018

Metallic carbide nanoparticles as stable and reusable substrates for sensitive surface-enhanced Raman spectroscopy.

H. Bai, Wei Liu, Wencai Yi, Xinshi Li, Junfeng Zhai, Jun-Fang Li, Jingyao Liu, Hai-Feng Yang, Guang-Cheng Xi

Chemical Communications

DOI

2017

A CNH monolayer: a direct gap 2D semiconductor with anisotropic electronic and optical properties

Wencai Yi, T. Hu, Tan Su, R. Islam, M. Miao, Jing-Yao Liu

DOI

2017

Asymmetric passivation of edges: a route to make magnetic graphene nanoribbons

Wencai Yi, W. Liu, Lei Zhao, R. Islam, M. Miao, Jing-Yao Liu

DOI

2017

Plasmonic MoO2 Nanospheres as a Highly Sensitive and Stable Non-Noble Metal Substrate for Multicomponent Surface-Enhanced Raman Analysis.

Qi-Qi Zhang, Xinshi Li, Wencai Yi, Wentao Li, H. Bai, Jingyao Liu, Guang-Cheng Xi

Analytical Chemistry

DOI

2017

Nitrophosphorene: A 2D Semiconductor with Both Large Direct Gap and Superior Mobility

Lei Zhao, Wencai Yi, J. Botana, Feng-Long Gu, M. Miao

DOI

2017

A metallic molybdenum dioxide with high stability for surface enhanced Raman spectroscopy

Qi-Qi Zhang, Xinshi Li, Qiang Ma, Qing Zhang, H. Bai, Wencai Yi, Jingyao Liu, Jing Han, Guang-Cheng Xi

Nature Communications

DOI

2016

Large-scale synthesis of ultrathin tungsten oxide nanowire networks: an efficient catalyst for aerobic oxidation of toluene to benzaldehyde under visible light.

H. Bai, Wencai Yi, Jingyao Liu, Q. Lv, Qing Zhang, Qiang Ma, Hai-Feng Yang, Guang-Cheng Xi

Nanoscale

DOI

2016

チタン酸ストロンチウム多面体ナノ結晶の合成とファセット依存の光触媒活性【Powered by NICT】

Jun-Fang Li, Hua-Hua Bai, Wencai Yi, Jingyao Liu, Ya-Hui Li, Qing Zhang, Hai-Feng Yang, Guang-Cheng Xi

2016

Synthesis and facet-dependent photocatalytic activity of strontium titanate polyhedron nanocrystals

Jun-Fang Li, H. Bai, Wencai Yi, Jingyao Liu, Ya-Hui Li, Qing Zhang, Hai-Feng Yang, Guang-Cheng Xi

Nano Reseach

DOI

2016

Direct growth of defect-rich MoO3−x ultrathin nanobelts for efficiently catalyzed conversion of isopropyl alcohol to propylene under visible light

H. Bai, Wencai Yi, Jun-Fang Li, Guang-Cheng Xi, Ya-Hui Li, Hai-Feng Yang, Jingyao Liu

DOI

2015

Effect of Subsurface Oxygen on Selective Catalytic Reduction of NO by H2 on Pt(100): A First-Principles Study

Li-yuan Huai, Hui Wang, Chao-Zheng He, Hong Wen, Wencai Yi, Jing-Yao Liu

DOI

2015

NO dissociation and reduction by H2 on Pd(1 1 1): A first-principles study

Li-yuan Huai, Chao-Zheng He, Hui Wang, Hong Wen, Wencai Yi, Jing-Yao Liu

DOI

精选作品

期刊论文

Single-crystal-ordered-mesoporous metal nitrides without intrinsic Raman signals for highly sensitive SERS detection

Beyond adsorption energy: a key framework to distinguish adsorption types

Achieving high-energy-density crown-like polymeric nitrogen cr-N via chelate CeN8

GASCAP: Accelerating Adsorption Evaluation Using Graph Voronoi Diagram and Machine Learning Method

Enhancing the energy density of CNO compounds through distorted carbon tetrahedra

Theoretical prediction of pressure-stabilized all-nitrogen N12 molecular crystals with π-π stacking.

Two-Orders-of-Magnitude Enhancement of SERS Activity via a Simple Surface Engineering of Quasi-Metal Single-Crystal Frameworks.

Transforming Nanoarchitectonics of Solvated Fullerene Single Crystals into Ultrahigh Specific Surface Area C60 Microtubes for Exceptional Raman Sensing Performances

Cerium-promoted conversion of dinitrogen into high-energy-density material CeN6 under moderate pressure

Enhancement of NO2 Gas Sensing Properties of Polypyrrole by Polarization Doping with DBS: Experimental and DFT Studies.

New oxide structures clearing up the origin of two-dimensional electron gas in AlGaN/GaN heterostructures.

Surfactant-free interfacial growth of graphdiyne hollow microspheres and the mechanistic origin of their SERS activity

ZnGeSe2 monolayer: water-splitting photocatalyst with ultrahigh solar conversion efficiency.

Highly robust and flexible micro-supercapacitors based on medium-entropy carbide nanowires toward sub-ambient temperature operation

General Synthesis of Large‐Area Transition Metal Nitride Porous Arrays for Highly Sensitive Surface‐Enhanced Raman Scattering Substrates with Ultrahigh Durability

High-Quality 2D SnP3 Nanosheets: Novel Flexible Electrode for Energy Storage Device Application with Wide Temperature Adaptivity

Synthesis of Graphdiyne Hollow Spheres and Multiwalled Nanotubes and Applications in Water Purification and Raman Sensing.

A Metallic Niobium Nitride with Open Nanocavities for Surface-Enhanced Raman Spectroscopy.

In Situ Surface Restraint-Induced Synthesis of Transition-Metal Nitride Ultrathin Nanocrystals as Ultrasensitive SERS Substrate with Ultrahigh Durability.

Plasmonic Rare-Earth Nanosheets as Surface Enhanced Raman Scattering Substrates with High Sensitivity and Stability for Multicomponent Analysis.

α-In2O3 Monolayer: A Promising Material as Field-Effect Phototransistor and Out-of-Plane Piezoelectric Device

Enhanced Thermoelectric Performance in Black Phosphorene via Tunable Interlayer Twist.

A novel all-nitrogen molecular crystal N16 as a promising high-energy-density material.

Penta-BeP2 Monolayer: A Superior Sensor for Detecting Toxic Gases in the Air with Excellent Sensitivity, Selectivity, and Reversibility.

Novel Two-Dimensional ABX3 Dirac Materials: Achieving a High-Speed Strain Sensor via a Self-Doping Effect.

Diffusionless‐Like Transformation Unlocks Pseudocapacitance with Bulk Utilization: Reinventing Fe2O3 in Alkaline Electrolyte

g-SiC6 Monolayer: A New Graphene-like Dirac Cone Material with a High Fermi Velocity

Selective Preparation of Mo2N and MoN with High Surface Area for Flexible SERS Sensing.

Novel 2D porous C3N2 framework as promising anode material with ultra-high specific capacity for lithium-ion batterIes

General Microwave Route to Single-Crystal Porous Transition Metal Nitrides for Highly Sensitive and Stable Raman Scattering Substrates.

Superior Conversion Efficiency Achieved in GeP3/h-BN Heterostructures as Novel Flexible and Ultralight Thermoelectrics.

Prediction of enhanced thermoelectric performance in two-dimensional black phosphorus nanosheets

Hydrogenated group IV-V monolayer HAB6: A new type of Dirac material constructed by isoelectronic rule

A g-SiC6 monolayer and its analogs: A new class of tunable dirac cone materials and novel quantum spin hall insulators

Nitrogen-Doped Titanium Monoxide Flexible Membrane for a Low-Cost, Biocompatible, and Durable Raman Scattering Substrate.

Enhanced fast response to Hg0 by adsorption-induced electronic structure evolution of Ti2C nanosheet

ABX6 Monolayers: A new Dirac material family containing high Fermi velocities and topological properties

Rapid fabrication of hierarchical porous SiC/C hybrid structure: toward high-performance capacitive energy storage with ultrahigh cyclability

Investigation of Ammonia-sensing Mechanism on Polypyrrole Gas Sensor Based on Experimental and Theoretical Evidence

General molten-salt route to three-dimensional porous transition metal nitrides as sensitive and stable Raman substrates

Study on hydrodeoxygenation mechanism of anisole over Ni (111) by first-principles calculation

Low temperature synthesis of plasmonic molybdenum nitride nanosheets for surface enhanced Raman scattering

Quasi-metallic Tungsten Oxide Nanodendrites with High Stability for Surface-Enhanced Raman Scattering

Packing high-energy together: Binding the power of pentazolate and high-valence metals with strong bonds

Prediction of stable energetic beryllium pentazolate salt under ambient conditions

Enhanced Thermoelectric Performance in Black Phosphorus Nanotubes by Band Modulation through Tailoring Nanotube Chirality.

Predicted stable Li5P2 and Li4P at ambient pressure: novel high-performance anodes for lithium-ion batteries.

Stabilization of the High-Energy-Density CuN5 Salts under Ambient Conditions by a Ligand Effect

Two-dimensional type-II g-C3N4/SiP-GaS heterojunctions as water splitting photocatalysts: first-principles predictions.

Liquid phase exfoliation of bismuth nanosheets for flexible all-solid-state supercapacitors with high energy density

Remarkable surface-enhanced Raman scattering of highly crystalline monolayer Ti3C2 nanosheets

qvasp: A flexible toolkit for VASP users in materials simulations

Quasi-Metal Microwave Route to MoN and Mo2C Ultrafine Nanocrystalline Hollow Spheres as Surface Enhanced Raman Scattering Substrates.

Crystalline Structures and Energetic Properties of Lithium Pentazolate under Ambient Conditions

Reduction of NO with CO on the Co3O4(110)-B and CoO(110) Surfaces: A First-Principles Study

Ultrahigh Thermoelectric Performance Realized in Black Phosphorus System by Favorable Band Engineering through Group VA Doping

A novel two-dimensional δ-InP3 monolayer with high stability, tunable bandgap, high carrier mobility, and gas sensing of NO2

Quasi-Metal for Highly Sensitive and Stable Surface-Enhanced Raman Scattering

Planar graphitic ZnS, buckling ZnS monolayers and rolled-up nanotubes as nonlinear optical materials: first-principles simulation

Ni anchored C2N monolayers as low-cost and efficient catalysts for hydrogen production from formic acid

Alternative to Noble Metal Substrates: Metallic and Plasmonic Ti3O5 Hierarchical Microspheres for Surface Enhanced Raman Spectroscopy.

基于结构搜索算法的二维材料结构设计及电子结构计算

A highly sensitive and stable SERS substrate using hybrid tungsten dioxide/carbon ultrathin nanowire beams

Microporosity as a new property control factor in graphene-like 2D allotropes

Metallic carbide nanoparticles as stable and reusable substrates for sensitive surface-enhanced Raman spectroscopy.

A CNH monolayer: a direct gap 2D semiconductor with anisotropic electronic and optical properties

Asymmetric passivation of edges: a route to make magnetic graphene nanoribbons

Plasmonic MoO2 Nanospheres as a Highly Sensitive and Stable Non-Noble Metal Substrate for Multicomponent Surface-Enhanced Raman Analysis.

Nitrophosphorene: A 2D Semiconductor with Both Large Direct Gap and Superior Mobility

A metallic molybdenum dioxide with high stability for surface enhanced Raman spectroscopy

Large-scale synthesis of ultrathin tungsten oxide nanowire networks: an efficient catalyst for aerobic oxidation of toluene to benzaldehyde under visible light.

チタン酸ストロンチウム多面体ナノ結晶の合成とファセット依存の光触媒活性【Powered by NICT】

Synthesis and facet-dependent photocatalytic activity of strontium titanate polyhedron nanocrystals

Direct growth of defect-rich MoO3−x ultrathin nanobelts for efficiently catalyzed conversion of isopropyl alcohol to propylene under visible light

Effect of Subsurface Oxygen on Selective Catalytic Reduction of NO by H2 on Pt(100): A First-Principles Study

NO dissociation and reduction by H2 on Pd(1 1 1): A first-principles study

会议论文

MoO 3-x 纳米带催化异丙醇转化生成丙烯的第一性理论研究