Soft X-ray Spectroscopic Properties of Ruthenium Complex Catalyst under CO2 Electrochemical Reduction Conditions: A First-Principles Study

2015 ◽  
Vol 119 (40) ◽  
pp. 22899-22907
Author(s):  
Rocío Sánchez-de-Armas ◽  
Barbara Brena ◽  
Ivan Rivalta ◽  
C. Moyses Araujo
Keyword(s):  
Electrochemical Reduction ◽  
First Principles ◽  
Ruthenium Complex ◽  
Spectroscopic Properties ◽  
Complex Catalyst ◽  
X Ray ◽  
First Principles Study

Effect of 3d-transition metals doped in ZnO monolayers on the CO2 electrochemical reduction to valuable products: first principles study

2021 ◽  
Vol 550 ◽  
pp. 149380
Author(s):  
Pornsawan Sikam ◽  
Kaito Takahashi ◽  
Thantip Roongcharoen ◽  
Thanadol Jitwatanasirikul ◽  
Chirawat Chitpakdee ◽  
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Keyword(s):  
Transition Metals ◽  
Electrochemical Reduction ◽  
First Principles ◽  
First Principles Study

First-Principles Study on Structural, Electronic, and Spectroscopic Properties of γ-Ca2SiO4:Ce3+ Phosphors

2015 ◽  
Vol 119 (29) ◽  
pp. 8031-8039 ◽  
Author(s):  
Jun Wen ◽  
Lixin Ning ◽  
Chang-Kui Duan ◽  
Shengbao Zhan ◽  
Yucheng Huang ◽  
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Keyword(s):  
First Principles ◽  
Spectroscopic Properties ◽  
First Principles Study

First-Principles Study of C–C Coupling Pathways for CO2 Electrochemical Reduction Catalyzed by Cu(110)

2021 ◽  
Vol 125 (4) ◽  
pp. 2464-2476
Author(s):  
Tung-Chun Kuo ◽  
Jia-Wei Chou ◽  
Min-Hsiu Shen ◽  
Zih-Siang Hong ◽  
Tzu-Hsuan Chao ◽  
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Keyword(s):  
Electrochemical Reduction ◽  
First Principles ◽  
First Principles Study

X-ray Photoelectron Spectroscopy for the Boron Impurities in Silicon: a First-Principles Study

2011 ◽  
Author(s):  
Jun Yamauchi ◽  
Yoshihide Yoshimoto ◽  
Jisoon Ihm ◽  
Hyeonsik Cheong
Keyword(s):  
First Principles ◽  
Photoelectron Spectroscopy ◽  
X Ray ◽  
First Principles Study

Inelastic X-ray scattering and first-principles study of electron excitations in MgB2

2009 ◽  
Vol 149 (39-40) ◽  
pp. 1706-1711 ◽  
Author(s):  
G. Stutz ◽  
V.M. Silkin ◽  
G. Tirao ◽  
A. Balassis ◽  
E.V. Chulkov ◽  
...  
Keyword(s):  
First Principles ◽  
X Ray ◽  
First Principles Study ◽  
X Ray Scattering ◽  
Electron Excitations ◽  
Ray Scattering

scholarly journals First Principles Study of Core-hole Effect on Fluorine K-edge X-ray Absorption Spectra of MgF2 and ZnF2

2004 ◽  
Vol 45 (7) ◽  
pp. 1991-1993 ◽  
Author(s):  
Tomoyuki Yamamoto ◽  
Teruyasu Mizoguchi ◽  
Kazuyoshi Tatsumi ◽  
Isao Tanaka ◽  
Hirohiko Adachi ◽  
...  
Keyword(s):  
Absorption Spectra ◽  
First Principles ◽  
Core Hole ◽  
X Ray ◽  
First Principles Study ◽  
X Ray Absorption ◽  
Hole Effect

scholarly journals First-Principles Study on the Near-Edge X-ray Absorption Fine Structure Spectroscopy of the Fullerene-Derivative PCBM

2015 ◽  
Vol 31 (8) ◽  
pp. 1483-1488
Author(s):  
Yong. MA ◽  
◽  
Guang-Wei. WANG ◽  
Shao-Tao. SUN ◽  
Xiu-Neng. SONG ◽  
...  
Keyword(s):  
Fine Structure ◽  
First Principles ◽  
Fullerene Derivative ◽  
X Ray ◽  
First Principles Study ◽  
Absorption Fine ◽  
X Ray Absorption
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