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金属研究所 [13]
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期刊论文 [61]
会议论文 [2]
发表日期
2019 [63]
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Single Au Anion Can Catalyze Acetylene Hydrochlorination: Tunable Catalytic Performance from Rational Doping
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 48, 页码: 29203-29208
作者:
Ali, Sajjad
;
Olanrele, Samson
;
Liu, TianFu
;
Lian, Zan
;
Si, Chaowei
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2021/02/02
Single Au Anion Can Catalyze Acetylene Hydrochlorination: Tunable Catalytic Performance from Rational Doping
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 48, 页码: 29203-29208
作者:
Ali, Sajjad
;
Olanrele, Samson
;
Liu, TianFu
;
Lian, Zan
;
Si, Chaowei
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2021/02/02
Formation and migration of helium pair in bcc Fe from first principle calculations
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 170, 页码: UNSP 109192
作者:
Li LL
;
Shi JY
;
Peng L
;
Jiang W
;
Qian GA(钱桂安)
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  |  
浏览/下载:66/0
  |  
提交时间:2019/12/17
First-principle
Helium pair
Migration
Bcc Fe
Investigations on elastic properties and electronic structures of alpha-CoSn3 doped with Ni via first-principles calculations and nano-indentation measurements
期刊论文
RESULTS IN PHYSICS, 2019, 卷号: 15
作者:
Bi, Xiaoyang
;
Hu, Xiaowu
;
Li, Qinglin
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  |  
浏览/下载:8/0
  |  
提交时间:2022/03/01
Intermetallic compound
Nano-indentation
First-principles calculations
Mechanical properties
The Nucleation and the Intrinsic Microstructure Evolution of Martensite from {332}< 113 >(beta) Twin Boundary in beta Titanium: First-Principles Calculations
期刊论文
METALS, 2019, 卷号: 9, 期号: 11, 页码: 12
作者:
Chen, Qiu-Jie
;
Ma, Shang-Yi
;
Wang, Shao-Qing
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/02/02
martensite phase transformation
phase transformation kinetics
titanium
first-principle calculation
twin boundary
Optical Properties of Cu2+ Doped ZnAl2O4 Nanoparticles
期刊论文
Faguang Xuebao/Chinese Journal of Luminescence, 2019, 卷号: 40, 期号: 11, 页码: 1386-1393
作者:
Huang, Shang-Pan
;
Wei, Zhi-Qiang
;
Wu, Xiao-Juan
;
Chen, Xiu-Juan
;
Yuan, Li-Hua
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2022/02/17
Aluminum compounds
Band structure
Binding energy
Crystal structure
Heat treatment
High resolution transmission electron microscopy
Nanoparticles
Optical emission spectroscopy
Optical properties
Photoelectron spectroscopy
Semiconductor quantum wells
Synthesis (chemical)
Ultraviolet visible spectroscopy
X ray photoelectron spectroscopy
Zinc compounds
Element distribution
Field-emission transmission electron microscopies
First principle calculations
Hydrothermal methods
Infrared spectrum
Luminescence quenching
Treatment technologies
UV-vis spectroscopy
Optoelectronic and magnetic properties of Mn-doped and Mn-C co-doped Wurtzite ZnS: a first-principles study
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 39, 页码: 13
作者:
Khan, Muhammad Sheraz
;
Shi, Lijie
;
Yang, Xiongtao
;
Ali, Sajjad
;
Ullah, Hamid
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2021/02/02
semiconductor
dilute magnetic semiconductors
half-metal
spintronic
optical properties
Adsorption and Photodegradation of Acetaldehyde and Ethylene on TiO2 (001) Surface: Experimental and First Principle Studies
期刊论文
CATALYSIS LETTERS, 2019, 卷号: 149, 期号: 10, 页码: 2728-2738
作者:
Shi, Gansheng
;
Mahmood, Asad
;
Lu, Guanhong
;
Wang, Xiao
;
Tong, Shengrui
收藏
  |  
浏览/下载:101/0
  |  
提交时间:2019/09/30
Adsorption and Photodegradation of Acetaldehyde and Ethylene on TiO2 (001) Surface: Experimental and First Principle Studies
期刊论文
CATALYSIS LETTERS, 2019, 卷号: 149, 期号: 10, 页码: 2728
作者:
Shi, Gansheng
;
Mahmood, Asad
;
Lu, Guanhong
;
Wang, Xiao
;
Tong, Shengrui
收藏
  |  
浏览/下载:62/0
  |  
提交时间:2019/12/26
Ethylene
Acetaldehyde
TiO2 (001) surface
Saddle-like structure
Carbonyl group
Adsorption mechanism
First-principle Study of the Effects of Cu Doped on γ' Phase
期刊论文
Cailiao Daobao/Materials Reports, 2019, 卷号: 33, 期号: 9, 页码: 3085-3088
作者:
Li, Yamin
;
Jiang, Lu
;
Zhao, Wang
;
Chen, Yinping
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2020/11/14
Aluminum
Binary alloys
Calculations
Electronic structure
Nickel
Nickel compounds
Calculation results
Density difference
First principles
First-principle study
Formation enthalpy
Inconel 718 alloy
Orbital hybridization
Plane wave methods
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