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科研机构
兰州理工大学 [2]
北京航空航天大学 [2]
武汉大学 [2]
合肥物质科学研究院 [2]
长春光学精密机械与物... [1]
化学研究所 [1]
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期刊论文 [12]
发表日期
2018 [12]
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Materials ... [1]
Nanoscienc... [1]
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Mechanism of H adatoms improving the O-2 reduction reaction on the Zn-modified anatase TiO2 (101) surface studied by first principles calculation
期刊论文
DALTON TRANSACTIONS, 2018, 卷号: 47, 期号: 22, 页码: 7541-7550
作者:
Liu, Liangliang
;
Li, Chongyang
;
Jiang, Man
;
Li, Xiaodong
;
Huang, Xiaowei
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/08/23
Passivation effect of Cl, F and H atoms on CuIn0.75Ga0.25Se2 (112) surface
期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 442, 页码: 650-657
作者:
Qi, Rong-fei
;
Wang, Zhao-hui
;
Tang, Fu-ling
;
Agbonkina, Itohan C.
;
Xue, Hong-tao
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/11/15
Density functional theory
CIGS (112) surface states
Passivation
Density of states
Passivation effect of Cl, F and H atoms on CuIn0.75Ga0.25Se2 (1 1 2) surface
期刊论文
Applied Surface Science, 2018, 卷号: 442, 页码: 650-657
作者:
Qi, Rong-fei
;
Wang, Zhao-hui
;
Tang, Fu-ling
;
Agbonkina, Itohan C.
;
Xue, Hong-tao
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2020/11/14
Adsorption
Atoms
Bond length
Calculations
Chlorine
Copper alloys
Electronic properties
Fermi level
Gallium alloys
Indium alloys
Passivation
Semiconductor alloys
Surface reconstruction
Surface states
Adsorption energies
Density of state
Effect of adsorptions
First-principles calculation
Hexagonal close packed
Passivation effect
Self-passivation
Surface state density
Bromine adatom promoted C-H bond activation in terminal alkynes at room temperature on Ag(111)
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 16, 页码: 11081-11088
作者:
Liu, Jing
;
Chen, Qiwei
;
He, Qilin
;
Zhang, Yajie
;
Fu, Xiangyu
收藏
  |  
浏览/下载:57/0
  |  
提交时间:2019/04/09
Giant magnetic anisotropy of heavy p-elements on high-symmetry substrates: a new paradigm for supported nanostructures
期刊论文
NEW JOURNAL OF PHYSICS, 2018, 卷号: 20, 期号: 无, 页码: 9
作者:
Pang, Rui
;
Deng, Bei
;
Shi, Xingqiang
;
Zheng, Xiaohong
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/06/04
giant magnetic anisotropy
atomic dimer
spin-orbital coupling
defected graphene
In Situ Plating of Porous Mg Network Layer to Reinforce Anode Dendrite Suppression in Li-Metal Batteries
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 15, 页码: 12678, 12689
作者:
Chu, Fulu
;
Hu, Jiulin
;
Tian, Jing
;
Zhou, Xuejun
;
Li, Zheng
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2018/12/28
Li-metal batteries
dendrite suppression
electrolyte additive
Mg(TFSI)(2)
anode modification
Oxygen adatoms and vacancies on the (110) surface of CeO2
期刊论文
SCIENCE CHINA-TECHNOLOGICAL SCIENCES, 2018, 卷号: 61, 期号: 1, 页码: 135-139
作者:
Huang JingLu
;
Yu YunBo
;
Zhu Jing
;
Yu Rong
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/06/19
surface structure
ceria
oxygen adatoms
oxygen vacancies
aberration-corrected TEM
first-principles calculations
Mechanism of H adatoms improving the O-2 reduction reaction on the Zn-modified anatase TiO2 (101) surface studied by first principles calculation
期刊论文
DALTON TRANSACTIONS, 2018, 卷号: 47, 期号: 22
作者:
Liu, Liangliang
;
Li, Chongyang
;
Jiang, Man
;
Li, Xiaodong
;
Huang, Xiaowei
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/05
Mechanism of H adatoms improving the O2reduction reaction on the Zn-modified anatase TiO2(101) surface studied by first principles calculation
期刊论文
Dalton Transactions, 2018, 卷号: 47, 期号: 22
作者:
Liu, Liangliang
;
Li, Chongyang
;
Jiang, Man
;
Li, Xiaodong
;
Huang, Xiaowei
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/05
High-throughput theoretical optimization of the hydrogen evolution reaction on MXenes by transition metal modification
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 页码: 4271-4278
作者:
Li, Pengkun
;
Zhu, Jinguo
;
Handoko, Albertus D.
;
Zhang, Ruifeng
;
Wang, Haotian
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/12/30
Adatoms
Adsorption
Carbides
Catalysts
Electric switches
Electrocatalysis
Electronic structure
Free energy
Gibbs free energy
Hydrogen production
Reaction kinetics
Reaction rates
Thermodynamics
Throughput
Transition metals
Chemical feedstocks
Clean energy sources
Efficient catalysts
Electro-catalytic hydrogen productions
Hydrogen evolution reactions
Systematic exploration
Thermodynamics and kinetics
Two-dimensional metals
Gas adsorption
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