Theoretical study of crystal phase effect in heterogeneous catalysis

2016 ◽  
Vol 6 (5) ◽  
pp. 571-583 ◽  
Author(s):  
Jin-Xun Liu ◽  
Wei-Xue Li
Keyword(s):  
Heterogeneous Catalysis ◽  
Theoretical Study ◽  
Crystal Phase ◽  
Phase Effect

NaSCN: Striking Differences Between Its Gas-Phase and Crystal-Phase Structure: A Theoretical Study

ChemInform ◽  
2004 ◽  
Vol 35 (50) ◽  
Author(s):  
Julianna Olah ◽  
Christian Van Alsenoy ◽  
Tamas Veszpremi
Keyword(s):  
Gas Phase ◽  
Phase Structure ◽  
Theoretical Study ◽  
Crystal Phase

scholarly journals Роль упругих напряжений при формировании нитридных нитевидных нанокристаллов с кубической кристаллической структурой

2019 ◽  
Vol 45 (20) ◽  
pp. 39
Author(s):  
Н.В. Сибирев ◽  
Ю.С. Бердников ◽  
В.Н. Сибирев
Keyword(s):  
Crystal Structure ◽  
Elastic Strain ◽  
Theoretical Study ◽  
Crystal Phase ◽  
Cubic Crystal ◽  
Cubic Lattice ◽  
Gan Nanowires ◽  
Sapphire Substrates

In this work, a theoretical study of the growth of nitride nanowires with metastable cubic (zincblende) crystal structure is presented. The formation of cubic lattice is explained by accounting the elastic strain in the nucleus of a new layer within the nanowire. The growth of GaN nanowires with cubic crystal phase on sapphire substrates is described.

Crystal phase effect upon O2 activation on gold surfaces through intrinsic strain

Nanoscale ◽  
2019 ◽  
Vol 11 (31) ◽  
pp. 14587-14591 ◽  
Author(s):  
Lixiang Zhong ◽  
Shuzhou Li
Keyword(s):  
Crystal Phase ◽  
Gold Surfaces ◽  
Phase Effect ◽  
O2 Activation ◽  
Crystal Phases ◽  
Intrinsic Strain

Different crystal phases have remarkably different surface reactivities due to their distinct intrinsic surface strains even for close-packed surfaces.

NaSCN:  Striking Differences between Its Gas-Phase and Crystal-Phase Structure: A Theoretical Study

2004 ◽  
Vol 108 (40) ◽  
pp. 8400-8406 ◽  
Author(s):  
Julianna Oláh ◽  
Christian Van Alsenoy ◽  
Tamás Veszprémi
Keyword(s):  
Gas Phase ◽  
Phase Structure ◽  
Theoretical Study ◽  
Crystal Phase

scholarly journals Theoretical Study on Fe-Based Metal Clusters: Application in Heterogeneous Catalysis

2001 ◽  
Vol 42 (11) ◽  
pp. 2180-2183 ◽  
Author(s):  
Rodion V. Belosludov ◽  
Seiichi Takami ◽  
Momoji Kubo ◽  
Akira Miyamoto ◽  
Yoshiyuki Kawazoe
Keyword(s):  
Heterogeneous Catalysis ◽  
Metal Clusters ◽  
Theoretical Study

Remarkable crystal phase effect of Cu/TiO2catalysts on the selective hydrogenation of dimethyl oxalate

RSC Advances ◽  
2015 ◽  
Vol 5 (37) ◽  
pp. 29040-29047 ◽  
Author(s):  
Bin Wang ◽  
Chao Wen ◽  
Yuanyuan Cui ◽  
Xi Chen ◽  
Yu Dong ◽  
...  
Keyword(s):  
Catalytic Hydrogenation ◽  
Selective Hydrogenation ◽  
Catalytic Performance ◽  
Crystal Phase ◽  
Phase Effect ◽  
Dimethyl Oxalate ◽  
Support Interaction ◽  
Metal Support Interaction ◽  
Metal Support ◽  
Titania Support

Crystal phase of titania support plays an important role in catalytic hydrogenation of dimethyl oxalate. Optimized catalytic performance was achieved for the Cu/P25 due to the intimate metal support interaction.

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