scholarly journals Atomic Scale Insight into the Formation, Size, and Location of Platinum Nanoparticles Supported on γ-Alumina

ACS Catalysis ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 4193-4204 ◽  
Author(s):  
Ana T. F. Batista ◽  
Walid Baaziz ◽  
Anne-Lise Taleb ◽  
Johan Chaniot ◽  
Maxime Moreaud ◽  
...  
Keyword(s):  
Platinum Nanoparticles ◽  
Atomic Scale ◽  
Insight Into

Atomic scale insight into the fundamental mechanism of Mn doped LiFePO4

2020 ◽  
Vol 4 (6) ◽  
pp. 2741-2751
Author(s):  
Fei Jiang ◽  
Ke Qu ◽  
Mingshan Wang ◽  
Junchen Chen ◽  
Yang Liu ◽  
...  
Keyword(s):  
Atomic Scale ◽  
Protective Shell ◽  
Mn Doping ◽  
Electrochemical Cycling ◽  
Mn Doped ◽  
Insight Into ◽  
Fundamental Mechanism

Mn doping could form a stable LiMnxFe1−xPO4 protective shell on the surface to suppress LiFePO4 degradation during electrochemical cycling.

New Insight into Atomic Scale Phenomena in Novel Perovskite-Based Catalysts

2012 ◽  
Vol 18 (S2) ◽  
pp. 1296-1297
Author(s):  
X. Pan ◽  
M.B. Katz ◽  
Y. Duan ◽  
M. Fang ◽  
K. Zhang ◽  
...  
Keyword(s):  
Atomic Scale ◽  
Insight Into

Extended abstract of a paper presented at Microscopy and Microanalysis 2012 in Phoenix, Arizona, USA, July 29 – August 2, 2012.

Atomic-scale insight into the origin of pyridine inhibition of MoS2-based hydrotreating catalysts

2010 ◽  
Vol 271 (2) ◽  
pp. 280-289 ◽  
Author(s):  
Burcin Temel ◽  
Anders K. Tuxen ◽  
Jakob Kibsgaard ◽  
Nan-Yu Topsøe ◽  
Berit Hinnemann ◽  
...  
Keyword(s):  
Atomic Scale ◽  
Hydrotreating Catalysts ◽  
Insight Into

Density Functional Theory in Surface Science and Heterogeneous Catalysis

MRS Bulletin ◽  
2006 ◽  
Vol 31 (9) ◽  
pp. 669-674 ◽  
Author(s):  
J.K. Nørskov ◽  
M. Scheffler ◽  
H. Toulhoat
Keyword(s):  
Experimental Data ◽  
Density Functional Theory ◽  
Heterogeneous Catalysis ◽  
Surface Science ◽  
Density Functional ◽  
Catalytic Reactions ◽  
Solid Surfaces ◽  
Atomic Scale ◽  
Functional Theory ◽  
Insight Into

AbstractSolid surfaces are used extensively as catalysts throughout the chemical industry, in the energy sector, and in environmental protection. Recently, density functional theory has started providing new insight into the atomic-scale mechanisms of heterogeneous catalysis, helping to interpret the large amount of experimental data gathered during the last decades. This article shows how density functional theory can be used to describe the state of the surface during reactions and the rate of catalytic reactions. It will also show how we are beginning to understand the variation in catalytic activity from one transition metal to the next. Finally, the prospects of using calculations to guide the development of new catalysts in industry will be discussed.

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