List of works - Chuying OuYang

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

scientific article published on 21 October 2015

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

scientific article published on 01 October 2008

Ab initiostudies on atomic and electronic structures of black phosphorus

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

scholarly article in Physical Review B, vol. 71 no. 12, March 2005

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

scientific article published on 01 August 2018

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

scholarly article by Qianyu Zhang et al published 19 August 2016 in Energy Technology (journal)

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

scientific article published on 31 July 2014

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

scientific article published on 01 March 2019

Design and Properties Prediction of AMCO3F by First-Principles Calculations

scientific article published on 10 April 2017

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

scientific article published on 9 June 2017

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

scientific article published on 18 June 2020

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

scientific article published on 18 July 2018

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

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

scientific article published on 30 July 2019

First-principles investigation of the structural, magnetic, and electronic properties of olivineLiFePO4

scholarly article in Physical Review B, vol. 71 no. 14, April 2005

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

scientific article

First-principles investigation on redox properties ofM-dopedCeO2(M=Mn,Pr,Sn,Zr)

scholarly article in Physical Review B, vol. 82 no. 12, September 2010

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

scientific article published on 14 April 2020

Hydrogen solution in tungsten (W) under different temperatures and strains: a first principles calculation study

scientific article published on 28 August 2020

Impurity-healing interface engineering for efficient perovskite submodules

scientific article published on 26 September 2024

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

article

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

scientific article published on 25 November 2015

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

scientific article published on 16 July 2019

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

scientific article published on 14 November 2018

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

scientific article published on 10 January 2019

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

scientific article published on 11 September 2018

Synthesis and Lithium Storage Mechanism of Ultrafine MoO2 Nanorods

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

scientific article published on 01 April 2019

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

scientific article published on 14 August 2013

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

scientific article published on 23 January 2020

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

scientific article published on 01 November 2010

List of works by Chuying OuYang