A DFT + U study of acetylene selective hydrogenation over anatase supported PdaAgb(a + b = 4) cluster
出版年份 2014 全文链接
标题
A DFT + U study of acetylene selective hydrogenation over anatase supported PdaAgb(a + b = 4) cluster
作者
关键词
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出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 16, Issue 33, Pages 17541
出版商
Royal Society of Chemistry (RSC)
发表日期
2014-06-23
DOI
10.1039/c4cp01818d
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Influence of surface structures, subsurface carbon and hydrogen, and surface alloying on the activity and selectivity of acetylene hydrogenation on Pd surfaces: A density functional theory study
- (2013) Bo Yang et al. JOURNAL OF CATALYSIS
- A DFT+U study of acetylene selective hydrogenation on oxygen defective anatase (101) and rutile (110) TiO2 supported Pd4 cluster
- (2012) Jie Yang et al. JOURNAL OF CHEMICAL PHYSICS
- Acetylene hydrogenation on anatase TiO2(101) supported Pd4 cluster: oxygen deficiency effect
- (2012) Jie Yang et al. JOURNAL OF MOLECULAR MODELING
- Effect of TiO2 support on the structural and electronic properties of PdmAgn clusters: a first-principles study
- (2012) You Han et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Origin of the Increase of Activity and Selectivity of Nickel Doped by Au, Ag, and Cu for Acetylene Hydrogenation
- (2012) Bo Yang et al. ACS Catalysis
- Density functional theory study of the effect of subsurface H, C, and Ag on C2H2 hydrogenation on Pd(111)
- (2011) Pavithra Tiruppathi et al. CATALYSIS TODAY
- Hydrogen Adsorption and Diffusion on the Anatase TiO2(101) Surface: A First-Principles Investigation
- (2011) Mazharul M. Islam et al. Journal of Physical Chemistry C
- How to Conceptualize Catalytic Cycles? The Energetic Span Model
- (2010) Sebastian Kozuch et al. ACCOUNTS OF CHEMICAL RESEARCH
- Automatic analysis of computed catalytic cycles
- (2010) Andreas Uhe et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Hydrogenation of acetylene–ethylene mixtures over Pd and Pd–Ag alloys: First-principles-based kinetic Monte Carlo simulations
- (2009) Donghai Mei et al. JOURNAL OF CATALYSIS
- Oxygen vacancy induced ferromagnetism in rutile TiO2-x
- (2009) Guang-bing Han et al. Physica Status Solidi-Rapid Research Letters
- On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene
- (2008) Felix Studt et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Kinetic-Quantum Chemical Model for Catalytic Cycles: The Haber−Bosch Process and the Effect of Reagent Concentration
- (2008) Sebastian Kozuch et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Nucleation and Growth of Palladium Clusters on Anatase TiO2(101) Surface: A First Principle Study
- (2008) Jinli Zhang et al. Journal of Physical Chemistry C
- Charge Dynamics in Thermally and Doping Induced Insulator-Metal Transitions of(Ti1−xVx)2O3
- (2008) M. Uchida et al. PHYSICAL REVIEW LETTERS
- The Roles of Subsurface Carbon and Hydrogen in Palladium-Catalyzed Alkyne Hydrogenation
- (2008) D. Teschner et al. SCIENCE
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