| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Anode material with Li-Si nano-domains in three-dimensional carbon network
|
Hou, Chao
|
|
2019
|
29 |
3 |
p. 310-315
|
article
|
| 2 |
Challenges in band alignment between semiconducting materials: A case of rutile and anatase TiO2
|
Zhang, Daoyu
|
|
2019
|
29 |
3 |
p. 277-284
|
article
|
| 3 |
CO adsorption on metal doped 2D InSe: Mechanism and application
|
Zhao, Chenxu
|
|
2019
|
29 |
3 |
p. 305-309
|
article
|
| 4 |
Density functional theory calculations: A powerful tool to simulate and design high-performance energy storage and conversion materials
|
Wu, Xi
|
|
2019
|
29 |
3 |
p. 247-255
|
article
|
| 5 |
Development and application of phase diagrams for Li-ion batteries using CALPHAD approach
|
Li, Na
|
|
2019
|
29 |
3 |
p. 265-276
|
article
|
| 6 |
Earth-abundant photovoltaic semiconductor NaSbS2 in the rocksalt-derived structure: A first-principles study
|
Zhang, Xian
|
|
2019
|
29 |
3 |
p. 322-328
|
article
|
| 7 |
First-principles investigation of structural and electronic properties of oxygen adsorbing phosphorene
|
Wang, Zhiqiang
|
|
2019
|
29 |
3 |
p. 316-321
|
article
|
| 8 |
High-throughput modeling of atomic diffusion migration energy barrier of fcc metals
|
Feng, Yuchao
|
|
2019
|
29 |
3 |
p. 341-348
|
article
|
| 9 |
Periodicity-dependent long range coulomb on-site repulsion in hydrogen adsorbed graphene: A DFT+U study
|
Ren, Jichang
|
|
2019
|
29 |
3 |
p. 362-366
|
article
|
| 10 |
Preface
|
|
|
2019
|
29 |
3 |
p. 245-246
|
article
|
| 11 |
Radiation-induced precipitation of transmutation elements rhenium/osmium and their effects on hydrogen behavior in tungsten
|
Li, Yuhao
|
|
2019
|
29 |
3 |
p. 285-294
|
article
|
| 12 |
Recent progress in theoretical and computational investigations of structural stability and activity of single-atom electrocatalysts
|
Wang, Youwei
|
|
2019
|
29 |
3 |
p. 256-264
|
article
|
| 13 |
Recent progress in the simulation of microstructure evolution in titanium alloys
|
Zhang, Jinhu
|
|
2019
|
29 |
3 |
p. 295-304
|
article
|
| 14 |
Role of intrinsic dipole on photocatalytic water splitting for Janus MoSSe/nitrides heterostructure: A first-principles study
|
Yin, Wenjin
|
|
2019
|
29 |
3 |
p. 335-340
|
article
|
| 15 |
Single PdO loaded on boron nanosheet for methane oxidation: A DFT study
|
Dong, Ani
|
|
2019
|
29 |
3 |
p. 367-369
|
article
|
| 16 |
Theoretical and experimental design of Pt-Co(OH)2 electrocatalyst for efficient HER performance in alkaline solution
|
Wu, Haijun
|
|
2019
|
29 |
3 |
p. 356-361
|
article
|
| 17 |
The role of isotropic and anisotropic Hubbard corrections for the magnetic ordering and absolute band alignment of hematite α-Fe2O3(0001) surfaces
|
Bandaru, Sateesh
|
|
2019
|
29 |
3 |
p. 349-355
|
article
|
| 18 |
Uniaxial compression behavior and spectroscopic properties of energetic 1,1-diamino-2,2-dinitroethylene (FOX-7) crystals from density functional theory calculations
|
Su, Yan
|
|
2019
|
29 |
3 |
p. 329-334
|
article
|
Journal description