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Modulating paired Ir-O-Ir
via
electronic perturbations of correlated Ir single atoms to overcome catalytic selectivity
期刊论文
CHEMICAL SCIENCE, 2023, 卷号: 14
作者:
Chen, Shi-Hua
;
Yang, Yuan-Fan
;
Song, Zong-Yin
;
Xiao, Xiang-Yu
;
Huang, Cong-Cong
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/11/10
Theoretical and Experimental Investigation of Geomagnetic Energy Effect for LEO Debris Deorbiting
期刊论文
AEROSPACE, 9, 2022, 卷号: 9, 页码: 511
作者:
Feng GH(冯冠华)
;
Zhang C(张晨)
;
Zhang H(张珩)
;
Li WH(李文皓)
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2022/10/23
LEO debris deorbiting
geomagnetic energy (GME) propellant
ground proof-of-principle experiment
LEO GME utilization
Regulating the valence level arrangement of high-Al-content AlGaN quantum wells using additional potentials with Mg doping
期刊论文
Physical Chemistry Chemical Physics, 2022, 卷号: 24, 期号: 9, 页码: 5529-5538
作者:
S. Q. Lu
;
T. C. Zheng
;
K. Jiang
;
X. J. Sun
;
D. B. Li
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2023/06/14
A parallel orbital-updating based optimization method for electronic structure calculations
期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 445, 页码: 17
作者:
Dai, Xiaoying
;
Liu, Zhuang
;
Zhang, Xin
;
Zhou, Aihui
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2022/04/02
Density functional theory
Electronic structure calculations
Kohn-Sham energy functional minimization problem
Parallel orbital-updating
Optimization method
Energy-Level Alignment and Orbital-Selective Femtosecond Charge Transfer Dynamics of Redox-Active Molecules on Au, Ag, and Pt Metal Surfaces
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125
作者:
Zhang, Ziyu
;
Cao, Liang
;
Chen, Xue
;
Thompson, Damien
;
Qi, Dongchen
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  |  
浏览/下载:21/0
  |  
提交时间:2021/11/01
DFT Mechanism of Cu Catalyzed Coupling Reaction to Alkyl Aryl Ethers
期刊论文
ACTA CHIMICA SINICA, 2021, 卷号: 79, 期号: 7, 页码: 948-952
作者:
Man, Qingmin
;
Fu, Zunyun
;
Liu, Tiantian
;
Zheng, Mingyue
;
Jiang, Hualiang
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  |  
浏览/下载:20/0
  |  
提交时间:2021/11/04
density functional theory
Cu catalyzed
Ullmann C=O coupling
tert-butoxide
Electronic correlation-driven orbital polarization transitions in the orbital-selective Mott compound Ba2CuO4-delta
期刊论文
PHYSICAL REVIEW B, 2021, 卷号: 103
作者:
Ni, Yu
;
Quan, Ya-Min
;
Liu, Jingyi
;
Song, Yun
;
Zou, Liang-Jian
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  |  
浏览/下载:16/0
  |  
提交时间:2021/08/31
Solute segregation induced stabilizing and strengthening effects on Ni ς3 [110](111) symmetrical tilt grain boundary in nickel-based superalloys
期刊论文
Journal of Materials Research and Technology, 2021, 卷号: 11, 页码: 1281-1289
作者:
Xue, Hongtao
;
Luo, Yaqiao
;
Tang, Fuling
;
Yu, Xuefeng
;
Lu, Xuefeng
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2021/06/03
Alloying elements
Atoms
Binary alloys
Calculations
Cobalt alloys
Density functional theory
Fracture toughness
Nickel alloys
Segregation (metallography)
Superalloys
Thermodynamic stability
Titanium alloys
Transition metals
Zircaloy
First principles
Grain boundary segregation
Grain-boundaries
Grain-boundary energy
Ni ς3 [110](111) symmetrical tilt grain boundary
Nickel-based superalloys
Stabilizing effects
Strengthening effect
Tilt grain boundary
Work of separation
Solute segregation induced stabilizing and strengthening effects on Ni sigma 3 [110](111) symmetrical tilt grain boundary in nickel-based superalloys
期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2021, 卷号: 11, 页码: 1281-1289
作者:
Xue, Hongtao
;
Luo, Yaqiao
;
Tang, Fuling
;
Yu, Xuefeng
;
Lu, Xuefeng
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/06/03
Grain boundary segregation
Grain boundary energy
Work of separation
First-principles
Ni?3 [110](111) symmetrical tilt&
nbsp
grain boundary
Work function regulation of nitrogen-doped carbon nanotubes triggered by metal nanoparticles for efficient electrocatalytic nitrogen fixation
期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 48, 页码: 26066-26074
作者:
Yuan, Menglei
;
Bai, Yiling
;
Zhang, Jingxian
;
Zhao, Tongkun
;
Li, Shuwei
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2021/03/29
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