C. Ouyang

发表

Multi-scale computation methods: Their applications in lithium-ion battery research and development

Siqi Shi, Wangwei Ju, Ruijuan Xiao, 2016 .

Organosilicon functionalized glycerol carbonates as electrolytes for lithium-ion batteries

Jinglun Wang, Lingzhi Zhang, C. Ouyang, 2015 .

Electrical and Lithium Ion Dynamics in Three Main Components of Solid Electrolyte Interphase from Density Functional Theory Study

Lijuan Song, C. Ouyang, Yi Chen, 2011 .

High performance layered LiNi0.8Co0.07Fe0.03Mn0.1O2 cathode materials for Li-ion battery

S. Agarwal, Haoqing Hou, C. Ouyang, 2021 .

Efficient potential-tuning strategy through p-type doping for designing cathodes with ultrahigh energy density

Liquan Chen, S. Shi, Yanchao Wang, 2020, National science review.

Bonding interactions in Li/Na oxides, peroxides and superoxides and their implication to the performance of the Li/Na-air batteries

C. Ouyang, Hewen Wang, X. Lei, 2017 .

First principles study of Jahn–Teller effects in LixMnPO4

S. Shi, C. Ouyang, Z. Nie, 2010 .

Ab initio studies of structural and electronic properties of Li4Ti5O12 spinel

Minsheng Lei, C. Ouyang, Z. Zhong, 2007 .

A novel organosilicon-based ionic plastic crystal as solid-state electrolyte for lithium-ion batteries

Hao Luo, H. Yao, Xinyue Zhao, 2016 .

Design and Properties Prediction of AMCO3F by First-Principles Calculations.

Liquan Chen, Zhaoxiang Wang, C. Ouyang, 2017, ACS applied materials & interfaces.

Ce3+-doped Li4Ti5O12 with CeO2 surface modification by a sol-gel method for high-performance lithium-ion batteries

Lingzhi Zhang, C. Ouyang, Qianyu Zhang, 2016 .

Antisite defects and Mg doping in LiFePO4: a first-principles investigation

Liquan Chen, S. Shi, C. Ouyang, 2011 .

Tailoring Lithium Deposition via an SEI‐Functionalized Membrane Derived from LiF Decorated Layered Carbon Structure

Deyu Wang, C. Ouyang, W. Luo, 2019, Advanced Energy Materials.

Surface Modification of LiNi0.8Co0.1Mn0.1O2 Cathode Material by Coating FePO4 with Yolk-shell Structure for Improved Electrochemical Performance.

Haoqing Hou, C. Ouyang, Guojun Zha, 2020, ACS applied materials & interfaces.

2D honeycomb borophene oxide: a promising anode material offering super high capacity for Li/Na-ion batteries

C. Ouyang, Junping Hu, Shengyuan A. Yang, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

Adsorption and Diffusion of Lithium on MoS2 Monolayer: The Role of Strain and Concentration

Strong, C. Ouyang, X. Lei, 2013, International Journal of Electrochemical Science.

The role of Cu in degrading adsorption of CO on the PtnCu clusters.

C. Ouyang, X. Lei, B. Xu, 2013, The journal of physical chemistry. A.

Improving the Electrochemical Activity of LiMnPO4 Via Mn-Site Substitution

Michael Grätzel, Andreas Kay, M. Grätzel, 2010 .

Cobalt suppressed Jahn–Teller effect in LiCo0.5Ni0.5O2 for lithium ion batteries

C. Ouyang, M. Lei, J. Wang, 2011 .

First-principles study on electronic structure of LiFePO4

Liquan Chen, Hong Li, Xuejie Huang, 2007 .

STRAIN INDUCED ENHANCED MIGRATION OF POLARON AND LITHIUM ION IN λ-MnO2

C. Ouyang, Hui Yan, Zhiqiang Wang, 2012 .

Ab initio studies on Li4+xTi5O12 compounds as anode materials for lithium-ion batteries.

S. Shi, C. Ouyang, Z. Zhong, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical study of cation doping effect on the electronic conductivity of Li4Ti5O12

Liquan Chen, Jun Jiang, Zhaoxiang Wang, 2006 .

Phosphorus-Mediated MoS2 Nanowires as a High-Performance Electrode Material for Quasi-Solid-State Sodium-Ion Intercalation Supercapacitors.

S. Jun, C. Ouyang, Musheng Wu, 2018, Small.

Jahn–Teller distortion and electronic structure of LiMn2O4

Siqi Shi, Minsheng Lei, S. Shi, 2009 .

Experimental and theoretical studies on dynamic properties of Li ions in LixMn2O4

Liquan Chen, Xuejie Huang, S. Shi, 2004 .

Pulsed laser deposition prepared LiMn2O4 thin film

Liquan Chen, C. Ouyang, M. Lei, 2006 .

First-principles study of Li ion diffusion in LiFePO4

Liquan Chen, Xuejie Huang, S. Shi, 2004 .

Designing Air-Stable O3-Type Cathode Materials by Combined Structure Modulation for Na-Ion Batteries.

Ya‐Xia Yin, Yu‐Guo Guo, L. Wan, 2017, Journal of the American Chemical Society.

Hydrogen solution in tetrahedral or octahedral interstitial sites in Al

C. Ouyang, C. Zeng, J. P. Hu, 2011 .

Vacancy and H Interactions in Nb

C. Ouyang, M. Lei, F. Jiang, 2011 .

Defect-mediated Jahn-Teller effect in layered LiNiO2

F. Pan, Jiaxin Zheng, C. Ouyang, 2022, Science China Materials.

An Sc-based coordination polymer with concaved superstructures: preparation, formation mechanism, conversion, and their electrochemistry properties

Ran Liu, C. Ouyang, Shengliang Zhong, 2020 .

The Mechanism of Li Deposition on the Cu Substrates in the Anode-Free Li Metal Batteries.

Jiaxin Zheng, C. Ouyang, Bo Xu, 2022, Small.

Calcium Doping of Lithium Titanium Oxide Nanospheres: A Combined First‐Principles and Experimental Study

Lingzhi Zhang, C. Ouyang, Qianyu Zhang, 2017 .

W6+ & Br− codoped Li4Ti5O12 anode with super rate performance for Li-ion batteries

H. Zhong, Lingzhi Zhang, C. Ouyang, 2015 .

FIRST-PRINCIPLES STUDY ON β-SiC/BNNT CORE/SHELL NANOCABLE

C. Ouyang, Musheng Wu, Bo Xu, 2013 .

Effect of Mg-doping on the structural and electronic properties of LiCoO2: A first-principles investigation

S. Shi, Weihua Tang, C. Ouyang, 2007 .

Charge transfer and formation of Ce3+ upon adsorption of metal atom M (M = Cu, Ag, Au) on CeO2 (100) surface

S. Shi, C. Ouyang, Yuanhao Tang, 2013 .

High Cycling Stability of the LiNi0.8 Co0.1 Mn0.1 O2 Cathode via Surface Modification with Polyimide/Multi-Walled Carbon Nanotubes Composite Coating.

S. Agarwal, Haoqing Hou, C. Ouyang, 2021, Small.

A Deep Neural Network Interface Potential for Li‐Cu Systems

C. Ouyang, Ruiqi Zhang, Liyuan Sheng, 2022, Advanced Materials Interfaces.

Tuning of Surface Morphology in Li Layered Oxide Cathode Materials

C. Ouyang, Xianqi Xu, Yao Jiang, 2022, SSRN Electronic Journal.

Strain-induced semimetal-metal transition in silicene

C. Ouyang, G. Liu, M. Wu, 2012 .

Two-dimensional penta-siligraphene with high performance for non‑lithium metal ions batteries anode materials

C. Ouyang, W. Luo, Musheng Wu, 2022, Solid State Ionics.

Further discussions on the geometry and fast diffusion of AlCl4 cluster intercalated in graphite

C. Ouyang, Musheng Wu, Bo Xu, 2017 .

Scandium Molybdate Microstructures with Tunable Phase and Morphology: Microwave Synthesis, Theoretical Calculations, and Photoluminescence Properties.

Ran Liu, C. Ouyang, Bo Xu, 2019, Inorganic chemistry.

The effect of cation doping on spinel LiMn2O4: a first-principles investigation

Liquan Chen, Xuejie Huang, S. Shi, 2003 .

Physics towards next generation Li secondary batteries materials: A short review from computational materials design perspective

Liquan Chen, C. Ouyang, 2013, Science China Physics, Mechanics and Astronomy.

A Thermodynamic Cycle‐Based Electrochemical Windows Database of 308 Electrolyte Solvents for Rechargeable Batteries

Liquan Chen, M. Avdeev, Aiping Wang, 2023, Advanced Functional Materials.

A Metal-Organic Frameworks Derived 1T-MoS2 with Expanded Layer Spacing for Enhanced Electrocatalytic Hydrogen Evolution.

Haiwei Liang, C. Ouyang, Shengliang Zhong, 2022, Small.

Role of alloying elements in vanadium-based binary alloy membranes for hydrogen separation

Young-Su Lee, C. Ouyang, J. Suh, 2012 .

Hydrogen-induced interactions in vanadium from first-principles calculations

Young-Su Lee, C. Ouyang, 2011 .

Crystal structure and electrochemical characteristics of non-AB5 type La–Ni system alloys

S. Shi, C. Ouyang, M. Lei, 2007 .

Phosphorous-containing oxygen-deficient cobalt molybdate as an advanced electrode material for supercapacitors

S. Jun, C. Ouyang, Dixing Ni, 2019, Energy Storage Materials.

Electronic states of metal (Cu, Ag, Au) atom on CeO2(111) surface: The role of local structural distortion

Liquan Chen, Hong Li, S. Shi, 2012 .

Facile microwave synthesis of ScPO4·2H2O flowerlike superstructures: morphology control, electronic structure and multicolor tunable luminescent properties

Ran Liu, C. Ouyang, Bo Xu, 2017 .

New insights into Li diffusion in Li-Si alloys for Si anode materials: role of Si microstructures.

H. Su, C. Ouyang, Musheng Wu, 2019, Nanoscale.

First-principles study of {gamma}-Al{sub 2}O{sub 3} (100) surface

Ž. Šljivančanin, A. Baldereschi, C. Ouyang, 2009 .

Density functional theory study of Ir atom deposited on γ-Al2O3 (001) surface

S. Shi, C. Ouyang, Lijuan Song, 2009 .

A new concept: Volume photocatalysis for efficient H2 generation __ Using low polymeric carbon nitride as an example

C. Ouyang, Yuexiang Li, P. Han, 2020 .

Physics of electron and lithium-ion transport in electrode materials for Li-ion batteries

C. Ouyang, Musheng Wu, Bo Xu, 2015 .

Preparation and temperature-dependent photoluminescence properties of ScF3:Eu3+ submicroparticles

Ran Liu, C. Ouyang, Bo Xu, 2017 .

Ni/Ce co-doping δ-MnO2 nanosheets with oxygen vacancy for enhanced electrocatalytic oxygen evolution reaction

C. Ouyang, Shengliang Zhong, Lei Wang, 2022, International Journal of Hydrogen Energy.

First-principles investigation on redox properties of M -doped CeO 2 ( M = Mn , Pr , Sn , Zr )

Weihua Tang, Jong-Sook Lee, Siqi Shi, 2010 .

Ab initio studies on atomic and electronic structures of black phosphorus

S. Shi, C. Ouyang, M. Lei, 2010 .

Effect of Interstitial Hydrogen on the Mechanical and Thermal Properties of Tungsten: A First-Principles Study

C. Ouyang, M. Luo, Sanqiu Liu, 2019, The Journal of Physical Chemistry C.

First-principles identification of spinel CaCo2O4 as a promising cathode material for Ca-ion batteries

C. Ouyang, Bo Xu, X. Lei, 2018, Solid State Ionics.

The effect of protons on the Mg2+ migration in an α-V2O5 cathode for magnesium batteries: a first-principles investigation.

C. Ouyang, Dixing Ni, Bo Xu, 2019, Physical chemistry chemical physics : PCCP.

First-principles study on the structural, electronic, and Li-ion mobility properties of anti-perovskite superionic conductor Li3OCl (1 0 0) surface

C. Ouyang, W. Luo, Musheng Wu, 2020 .

First principles study of g-Mg3N2 as an anode material for Na-, K-, Mg-, Ca- and Al-ion storage

Shicheng Yu, C. Ouyang, Hewen Wang, 2019, RSC advances.

Germagraphene as a promising anode material for lithium-ion batteries predicted from first-principles calculations.

H. Yang, C. Ouyang, Junping Hu, 2018, Nanoscale horizons.

Investigations on Nb2C monolayer as promising anode material for Li or non-Li ion batteries from first-principles calculations

C. Ouyang, Bo Xu, Junping Hu, 2016 .

2D Electrides as Promising Anode Materials for Na-Ion Batteries from First-Principles Study.

Yugui Yao, C. Ouyang, Bo Xu, 2015, ACS applied materials & interfaces.

Three-dimensional honeycomb carbon: Junction line distortion and novel emergent fermions

H. Yang, C. Ouyang, Junping Hu, 2018, Carbon.

Trace doping of multiple elements enables stable battery cycling of LiCoO2 at 4.6 V

Liquan Chen, Xiqian Yu, M. Ge, 2019, Nature Energy.

Transition from Mn(4+) to Mn(3+) induced by surface reconstruction at λ-MnO(2)(001).

Ž. Šljivančanin, A. Baldereschi, C. Ouyang, 2010, The Journal of chemical physics.

Insight into the Vibrational and Thermodynamic Properties of Layered Lithium Transition-Metal Oxides LiMO2 (M = Co, Ni, Mn): A First-Principles Study

T. Du, C. Ouyang, Musheng Wu, 2016 .

Electron-donor doping enhanced Li storage in electride Ca2N monolayer: a first-principles study

C. Ouyang, Musheng Wu, Bo Xu, 2018, Journal of physics. Condensed matter : an Institute of Physics journal.

Siligraphene as a promising anode material for lithium-ion batteries predicted from first-principles calculations

Kevin Huang, C. Ouyang, Musheng Wu, 2018, Nano Energy.

The strain effect on lithium ion migration in Li-Si alloys: A first-principles study

C. Ouyang, Musheng Wu, Bo Xu, 2016 .

Synthesis and Lithium Storage Mechanism of Ultrafine MoO2 Nanorods

Yong‐Sheng Hu, Liquan Chen, G. Stucky, 2012 .

The influence of electrolyte concentration and solvent on operational voltage of Li/CF primary batteries elucidated by Nernst Equation

H. Ji, C. Ouyang, Pengyu Chen, 2022, Journal of Power Sources.

Improving the electrical conductivity and structural stability of the Li2MnO3 cathode via P doping

C. Ouyang, Zhiqiang Wang, Musheng Wu, 2016 .

Self‐Healing Mechanism of Lithium in Lithium Metal

Jiaxin Zheng, Feng Pan, C. Ouyang, 2021, Advanced science.

Rate-Dependent Failure Mechanisms and Mitigating Strategies of Anode-Free Lithium Metal Batteries.

Hansen Wang, C. Ouyang, Yong Guo, 2023, ACS applied materials & interfaces.

New insight into the effect of fluorine doping and oxygen vacancies on electrochemical performance of Co2MnO4 for flexible quasi-solid-state asymmetric supercapacitors

S. Jun, C. Ouyang, Dixing Ni, 2019, Energy Storage Materials.

Effect of cation substitution on the pseudocapacitive performance of spinel cobaltite MCo2O4 (M = Mn, Ni, Cu, and Co)

S. Jun, C. Ouyang, Dixing Ni, 2018 .

The structural and electronic properties of spinel MnCo2O4 bulk and low-index surfaces: From first principles studies

C. Ouyang, Musheng Wu, Y. Li, 2015 .

Physics towards next generation Li secondary batteries materials: A short review from computational materials design perspective

Liquan Chen, C. Ouyang, 2013 .

Theoretical prediction of T-graphene as a promising alkali-ion battery anode offering ultrahigh capacity.

C. Ouyang, Junping Hu, Jianwen Li, 2020, Physical chemistry chemical physics : PCCP.

Penta-graphene as a Metal-free catalyst for CO and NO reaction -Insights from First-principles calculations

C. Ouyang, Musheng Wu, Bo Xu, 2021 .

Formation and thermodynamic stability of oxygen vacancies in typical cathode materials for Li-ion batteries: Density functional theory study

C. Ouyang, Weikang Hu, W. Luo, 2020 .

Fluorinated soft carbon as ultra–high energy density potassium–ion battery cathode enabled by a ternary phase K FC

C. Ouyang, Pengyu Chen, Hong Li, 2022, Journal of Energy Chemistry.

Compressive strain induced dynamical stability of monolayer 1T-MX2 (M = Mo, W; X = S, Se)

C. Ouyang, Musheng Wu, Bo Xu, 2017 .

Multi-scale stabilization of high-voltage LiCoO2 enabled by nanoscale solid electrolyte coating

M. Ge, Aijun Li, Xianghui Xiao, 2020 .

In-situ formed hierarchical transition metal oxide nanoarrays with rich antisite defects and oxygen vacancies for high-rate energy storage devices

Wenjing Qin, C. Ouyang, Bo Xu, 2021, Chinese Chemical Letters.

A first-principles investigation of Janus MoSSe as a catalyst for photocatalytic water-splitting

Kevin Huang, C. Ouyang, X. Lei, 2021 .

Comparative study on dynamical stability against strain of pristine and chemically functionalized monolayer honeycomb materials

C. Ouyang, Musheng Wu, Bo Xu, 2018, Journal of Materials Science.

Jahn–Teller type small polaron assisted Na diffusion in NaMnO2as a cathode material for Na-ion batteries

C. Ouyang, Zhiqiang Wang, Musheng Wu, 2019, Journal of Materials Chemistry A.

Strain tuned Li diffusion in LiCoO2 material for Li ion batteries: A first principles study

C. Ouyang, Bo Xu, F. Ning, 2014 .

First-principles investigation of the structural, magnetic, and electronic properties of olivine LiFePO4

Liquan Chen, Hong Li, Xuejie Huang, 2005 .

Li-decorated graphyne as high-capacity hydrogen storage media: First-principles plane wave calculations

C. Ouyang, Musheng Wu, X. Lei, 2014 .

First-principles study of the oxygen adsorption and dissociation on graphene and nitrogen doped graphene for Li-air batteries

Hui Yan, Bo Xu, Siqi Shi, 2012 .

Multiple Dirac Points and Hydrogenation-Induced Magnetism of Germanene Layer on Al (111) Surface.

C. Ouyang, Shengyuan A. Yang, S. Liu, 2015, The journal of physical chemistry letters.

First principles study of alkali and alkaline earth metal ions adsorption and diffusion on penta-graphene

C. Ouyang, W. Luo, Hewen Wang, 2019 .

The effect of strain on the Li-storage performance of V2C and Nb2C: From first-principles study

C. Ouyang, W. Luo, Musheng Wu, 2020 .

Investigations on V2C and V2CX2 (X = F, OH) Monolayer as a Promising Anode Material for Li Ion Batteries from First-Principles Calculations

Bo Xu, Junping Hu, Yugui Yao, 2014 .

Tunable electronic structures in BP/MoSSe van der Waals heterostructures by external electric field and strain

C. Ouyang, Bo Xu, X. Lei, 2019 .

Structural, Electronic, and Li Migration Properties of RE-Doped (RE = Ce, La) LiCoO2 for Li-ion Batteries: A First-Principles Investigation

C. Ouyang, Musheng Wu, Bo Xu, 2016 .

First-principles investigation of the bonding, optical and lattice dynamical properties of CeO2

S. Shi, Weihua Tang, C. Ouyang, 2009 .

Misfit strains inducing voltage decay in LiMnyFe1−yPO4/C

C. Ouyang, Liping Wang, Chun Luo, 2021, Journal of Energy Chemistry.

Enhancement of electronic conductivity of LiFePO4 by cr doping and its identification by first-principles calculations

Siqi Shi, Xuejie Huang, Liquan Chen, 2003 .

Curvature induced magnetic nanonodes in (6, 0) SiC/C nanotube heterojunction superlattice

C. Ouyang, Musheng Wu, X. Lei, 2014 .

The structural, mechanical and electronic properties of (4, 4) SiC/C nanotube heterojunction: A first-principles study

Y. Xu, C. Ouyang, Musheng Wu, 2013 .

The Atomic and Electronic Structure Changes Upon Delithiation of LiCoO2: From First Principles Calculations

C. Ouyang, F. Xiong, B. Xu, 2012, International Journal of Electrochemical Science.

First Principles Study of Penta-siligraphene as High-Performance Anode Material for Li-Ion Batteries

C. Ouyang, Musheng Wu, Bo Xu, 2019, Nanoscale Research Letters.

Lithium ion diffusion in Li4+xTi5O12: From ab initio studies

C. Ouyang, Zhaolin Sun, Yang Chen, 2011 .

Ab initio molecular-dynamics studies on LixMn2O4 as cathode material for lithium secondary batteries

S. Shi, C. Ouyang, L. Chen, 2004 .

First-principles investigation of transition metal atom M (M = Cu, Ag, Au) adsorption on CeO2(110).

Liquan Chen, Hong Li, S. Shi, 2012, Physical chemistry chemical physics : PCCP.

LiF Involved Interphase Layer Enabling Thousand Cycles of LAGP-based Solid-State Li Metal Batteries with 80% Capacity Retention

Shaofei Wang, Xueyi Lu, C. Ouyang, 2022, Energy Storage Materials.

Interfacial properties and Li-ion dynamics between Li3OCl solid electrolyte and Li metal anode for all solid state Li metal batteries from first principles study

C. Ouyang, W. Luo, Musheng Wu, 2020, Electrochimica Acta.

STRAIN-TUNABLE BAND GAP OF BC3 SHEET: A FIRST-PRINCIPLES INVESTIGATION

C. Ouyang, Musheng Wu, Bo Xu, 2013 .

Bulk properties and transport mechanisms of a solid state antiperovskite Li-ion conductor Li3OCl: insights from first principles calculations

C. Ouyang, Musheng Wu, Bo Xu, 2018 .

Dissociation of (Li2O2)0,+ on graphene and boron-doped graphene: insights from first-principles calculations.

C. Ouyang, X. Lei, Shuying Zhong, 2020, Physical chemistry chemical physics : PCCP.

O-vacancy and surface on CeO2: A first-principles study

Liquan Chen, S. Shi, C. Ouyang, 2010 .

The effect of titanium(Ti) doping on hydrogen incorporation in tungsten(W)：First-principles calculations

C. Ouyang, Sanqiu Liu, D. Jiang, 2017 .

The effect of titanium doping on carbon behavior in tungsten: A first-principles study

C. Ouyang, D. Jiang, Sanqiu Liu, 2016 .

Mechanical properties of W–Ti alloys from first-principles calculations

C. Ouyang, D. Jiang, Sanqiu Liu, 2016 .

Effect of Co Content on Rate Performance of LiMn0.5 − x Co2x Ni0.5 − x O 2 Cathode Materials for Lithium-Ion Batteries

Liquan Chen, Xuejie Huang, Zhaoxiang Wang, 2004 .

Ab initio molecular dynamics simulation of irradiation particles behavior in tungsten

C. Ouyang, M. Luo, Sanqiu Liu, 2018, The European Physical Journal B.

First-principles study of lithium intercalated bilayer graphene

S. Shi, Weihua Tang, C. Ouyang, 2012 .

Density functional theory prediction of Mg3N2 as a high-performance anode material for Li-ion batteries.

C. Ouyang, Musheng Wu, Bo Xu, 2019, Physical chemistry chemical physics : PCCP.

Geometry and fast diffusion of AlCl4 cluster intercalated in graphite

L. Chen, C. Ouyang, Musheng Wu, 2016 .

Insights into Bulk Properties and Transport Mechanisms in New Ternary Halide Solid Electrolytes: First-Principles Calculations

C. Ouyang, W. Luo, Musheng Wu, 2021, The Journal of Physical Chemistry C.

Molecular adsorption and strain-induced ferromagnetic semiconductor-metal transition in half-hydrogenated germanene

C. Ouyang, W. Luo, X. Lei, 2019, Journal of Applied Physics.

Strain-tunable molecular doping in germanane: a first-principles study

C. Ouyang, W. Luo, X. Lei, 2018, Nanotechnology.

First-principles study of χ3-borophene for charge-modulated switchable CO2 capture.

C. Ouyang, Zhiqiang Wang, W. Luo, 2020, Physical chemistry chemical physics : PCCP.

STRUCTURAL AND ELECTRONIC EVOLUTION FROM SiC SHEET TO SILICENE

C. Ouyang, Musheng Wu, Bo Xu, 2013 .

Ab initiostudies on the stability and electronic structure ofLiCoO2(003) surfaces

Liquan Chen, Hong Li, Xuejie Huang, 2005 .

First-principles study of lattice dynamics of LiFePO4

Liquan Chen, S. Shi, C. Ouyang, 2009 .

Iodine ion transport in solid electrolyte LiI(C3H5NO)2: a first-principles identification

Liquan Chen, S. Shi, Zhaoxiang Wang, 2007 .

First-principles study of high-capacity hydrogen storage on graphene with Li atoms

S. Shi, C. Ouyang, Jing-qin Shen, 2012 .

Comparison of the stability of free-standing silicene and hydrogenated silicene in oxygen: a first principles investigation

C. Ouyang, X. Lei, G. Liu, 2014, Journal of physics. Condensed matter : an Institute of Physics journal.

Structural and Electronic Features of Nb-Doped SrCoO3: Insight from First-Principles Calculations

Kevin Huang, C. Ouyang, Bo Xu, 2017 .

Tuning the electronic properties of germanene by molecular adsorption and under an external electric field

C. Ouyang, W. Luo, Bo Xu, 2018 .

Small polaron migration in LixMn2O4: From first principles calculations

S. Shi, C. Ouyang, M. Lei, 2009 .

Sequence‐Defined Peptoids with —OH and —COOH Groups As Binders to Reduce Cracks of Si Nanoparticles of Lithium‐Ion Batteries

Yan-Jie Wang, Jiujun Zhang, C. Ouyang, 2020, Advanced science.

Improving the Interfacial Stability between Lithium and Solid‐State Electrolyte via Dipole‐Structured Lithium Layer Deposited on Graphene Oxide

Deyu Wang, C. Ouyang, Liangting Cai, 2020, Advanced science.

Bandgap tuning in MoSSe bilayers: synergistic effects of dipole moment and interlayer distance.

Shicheng Yu, C. Ouyang, Musheng Wu, 2018, Physical chemistry chemical physics : PCCP.

Oxidation States of Mn Atoms at Clean and Al2O3-Covered LiMn2O4(001) Surfaces

Ž. Šljivančanin, A. Baldereschi, C. Ouyang, 2010 .

Interpenetrating graphene network bct-C40: a promising anode material for Li ion batteries.

Shicheng Yu, C. Ouyang, Zhiqiang Wang, 2019, Physical chemistry chemical physics : PCCP.

First-principles study of lithium intercalated bilayer graphene

S. Shi, C. Ouyang, M. Lei, 2012, Science China Physics, Mechanics and Astronomy.

Fluorine-regulated cathode electrolyte interphase enables high-energy quasi-solid-state lithium metal batteries

C. Ouyang, Ning Hu, Shufeng Song, 2023, Applied Physics Letters.

Correction to: Phosphorus-Mediated MoS 2 Nanowires as a High-Performance Electrode Material for Quasi-Solid-State Sodium-Ion Intercalation Supercapacitors (Small, (2019), 15, 4, (1803984), 10.1002/smll.201803984)

S. Jun, C. Ouyang, Musheng Wu, 2019 .

Effects of Strain and Electric Field on Molecular Doping in MoSSe

C. Ouyang, W. Luo, Musheng Wu, 2021, ACS omega.

Curvature induced improvement of Li storage in Ca2N nanotubes

C. Ouyang, W. Luo, Hewen Wang, 2018, Applied Surface Science.

First principles studies on the structural and electronic properties of Srn+1TinO3n+1 (n=1, 2, 3, ∞)

C. Ouyang, M. Lei, Y. Zuo, 2010 .

Confined Li ion migration in the silicon-graphene complex system: An ab initio investigation

C. Ouyang, Bo Xu, X. Lei, 2018 .

Coordination of lithium ion with ethylene carbonate electrolyte solvent: A computational study

C. Ouyang, X. Lei, Wenhui Ding, 2016 .

Ab initio investigation of Jahn–Teller-distortion-tuned Li-ion migration in λ-MnO2

H. Su, C. Ouyang, Musheng Wu, 2017 .

Lithium ion adsorption and diffusion on black phosphorene nanotube: A first-principles study

C. Ouyang, Musheng Wu, Bo Xu, 2017 .

Theoretical Prediction of Janus MoSSe as a Potential Anode Material for Lithium-Ion Batteries

C. Ouyang, Musheng Wu, Bo Xu, 2018, The Journal of Physical Chemistry C.

Hydrogen storage on calcium-decorated BC7 sheet: A first-principles study

B. Pan, C. Ouyang, Musheng Wu, 2014 .

Polymeric concentrated electrolyte enables simultaneous stabilization of electrode/electrolyte interphases for quasi‐solid‐state lithium metal batteries

C. Ouyang, Ning Hu, Shufeng Song, 2023, EcoMat.

First-Principles Calculation of Lithium Adsorption and Diffusion on Silicene

C. Ouyang, Musheng Wu, Bo Xu, 2013 .

Manipulation of spin-flip in Co3O4: a first principles study

C. Ouyang, Musheng Wu, Bo Xu, 2016, Journal of Materials Science.

First principles study of wurtzite and zinc blende GaN: a comparison of the electronic and optical properties

Shuti Li, C. Ouyang, Shuti Li, 2005 .

Nitrogen- and Phosphorus-Doped Biocarbon with Enhanced Electrocatalytic Activity for Oxygen Reduction

Shanshan Liu, C. Ouyang, Ruizhi Yang, 2015 .

Trace doping of multiple elements enables stable battery cycling of LiCoO2 at 4.6 V

Liquan Chen, Xiqian Yu, M. Ge, 2019, Nature Energy.

Polaron states and migration in F-doped Li2MnO3

C. Ouyang, Z. Q. Wang, Y. C. Chen, 2014 .

First-Principles Study of Lithium and Sodium Atoms Intercalation in Fluorinated Graphite

Liquan Chen, C. Ouyang, Zhiqiang Wang, 2015 .

First-principles study of the stability of free-standing germanene in oxygen atmosphere

C. Ouyang, S. Liu, H. Song, 2014, 1412.5253.

Li ion diffusion dynamics on Li oxides and peroxides surfaces

C. Ouyang, Hewen Wang, Z. Tian, 2017 .

Cation Disordered Anti‐Perovskite Cathode Materials with Enhanced Lithium Diffusion and Suppressed Phase Transition

Zhaoxiang Wang, C. Ouyang, Dixing Ni, 2023, Advanced Energy Materials.

Dual conductive surface engineering of LiNi0.8Co0.1Mn0.1O2 cathode for high-energy density

Haoqing Hou, C. Ouyang, Guojun Zha, 2023, Electrochimica Acta.

Na2MnO3 as cathode materials for Na ion batteries: From first-principles investigations

C. Ouyang, Zhiqiang Wang, Hewen Wang, 2018, Solid State Ionics.

Highly optimized embedding atom method potential for Pt-Cu alloys

C. Ouyang, Bo Xu, X. Lei, 2017 .

Structural and electronic properties of small lithium peroxide clusters in view of the charge process in Li-O2 batteries.

C. Ouyang, X. Lei, Shuying Zhong, 2019, Physical chemistry chemical physics : PCCP.

Effects of the Degree of Graphene Oxidation on the Oxidation Evolution Reaction of Lithium Peroxide: First-Principles Study

C. Ouyang, X. Lei, Fanglan Cai, 2023, The Journal of Physical Chemistry C.

Trace doping of multiple elements enables stable battery cycling of LiCoO2 at 4.6 V

Liquan Chen, Xiqian Yu, M. Ge, 2019, Nature Energy.

First principle study of LiXS2 (X = Ga, In) as cathode materials for Li ion batteries*

C. Ouyang, Musheng Wu, Bo Xu, 2016 .

LiGaOS is a fast Li-Ion conductor: A first-principles prediction

Kevin Huang, C. Ouyang, Bo Xu, 2020, Materials & Design.

The thermodynamics and electronic structure analysis of P-doped spinel Co3O4.

C. Ouyang, Dixing Ni, Hewen Wang, 2021, Physical chemistry chemical physics : PCCP.

The effect of thickness on the Li-ion adsorption behaviors of 2D Ti1C multi-layers from first-principles calculations

Shicheng Yu, C. Ouyang, W. Luo, 2020, Thin Solid Films.

The Performance of Li-doped LiCoO2 for Li-ion Battery: A First-Principles Study

C. Ouyang, F. Ning, X. M. Zeng, 2016, International Journal of Electrochemical Science.

Bilayer Halide Electrolyte Design Enabling Excellent Interface Stability between a Li-Metal Anode and a Halide Solid Electrolyte

C. Ouyang, Musheng Wu, Bo Xu, 2023, The Journal of Physical Chemistry C.

Ab initio investigation of the surface properties of Cu(111) and Li diffusion in Cu thin film

Liquan Chen, S. Shi, Zhaoxiang Wang, 2005 .

Understanding the effect of the layer-to-layer distance on Li-intercalated graphite

C. Ouyang, Bo Xu, M. Wu, 2012 .

First-principles insights of hydrogen diffusion dynamics at the α-Al2O3 (0001) surface

C. Ouyang, X. Lei, Shuying Zhong, 2020 .

First-principles investigation of the electronic structure and magnetism of eskolaite

C. Ouyang, M. Lei, W. Tang, 2009 .

Theoretical study on the magnetic properties of cathode materials in the lithium-ion battery.

H. Xiang, C. Ouyang, X. Gong, 2023, The Journal of chemical physics.

Unraveling the Atomic‐scale Mechanism of Phase Transformations and Structural Evolutions during (de)Lithiation in Si Anodes

C. Ouyang, Shenzhen Xu, Bo Xu, 2023, Advanced Functional Materials.

Insights into structural stability and Li superionic conductivity of Li10GeP2S12 from first-principles calculations

C. Ouyang, Zhipeng Wang, C. Hu, 2014 .

First-principles calculation identification of ultrahigh hydrogen storage capacity in g-Mg3N2

Shicheng Yu, C. Ouyang, Hewen Wang, 2021 .

The adsorption and dissociation of oxygen on Ag (111) supported χ 3 borophene

C. Ouyang, W. Luo, X. Lei, 2018 .

Strong Jahn-Teller effect at NiO4 tetrahedron in NiCo2O4 spinel

S. Jun, C. Ouyang, Dixing Ni, 2020 .

Effects of hydrogen on Mn-doped GaN: A first principles calculation

C. Ouyang, Musheng Wu, Bo Xu, 2013 .