Direct synthesis of DME over bifunctional catalyst: surface properties and catalytic performance

2003 ◽  
Vol 252 (2) ◽  
pp. 243-249 ◽  
Author(s):  
Kunpeng Sun ◽  
Weiwei Lu ◽  
Fengyan Qiu ◽  
Shuwen Liu ◽  
Xianlun Xu
Keyword(s):  
Surface Properties ◽  
Catalyst Surface ◽  
Direct Synthesis ◽  
Bifunctional Catalyst ◽  
Catalytic Performance

scholarly journals High-throughput computational-experimental screening protocol for the discovery of bimetallic catalysts

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Byung Chul Yeo ◽  
Hyunji Nam ◽  
Hyobin Nam ◽  
Min-Cheol Kim ◽  
Hong Woo Lee ◽  
...  
Keyword(s):  
High Throughput ◽  
Bimetallic Catalysts ◽  
High Throughput Screening ◽  
Direct Synthesis ◽  
Catalytic Performance ◽  
Platinum Group Metals ◽  
Pt Catalyst ◽  
Electronic Density ◽  
Bimetallic Alloy ◽  
Screening Protocol

AbstractTo accelerate the discovery of materials through computations and experiments, a well-established protocol closely bridging these methods is required. We introduce a high-throughput screening protocol for the discovery of bimetallic catalysts that replace palladium (Pd), where the similarities in the electronic density of states patterns were employed as a screening descriptor. Using first-principles calculations, we screened 4350 bimetallic alloy structures and proposed eight candidates expected to have catalytic performance comparable to that of Pd. Our experiments demonstrate that four bimetallic catalysts indeed exhibit catalytic properties comparable to those of Pd. Moreover, we discover a bimetallic (Ni-Pt) catalyst that has not yet been reported for H2O2 direct synthesis. In particular, Ni61Pt39 outperforms the prototypical Pd catalyst for the chemical reaction and exhibits a 9.5-fold enhancement in cost-normalized productivity. This protocol provides an opportunity for the catalyst discovery for the replacement or reduction in the use of the platinum-group metals.

Valence variation of phase-pure M1 MoVNbTe oxide by plasma treatment for improved catalytic performance in oxidative dehydrogenation of ethane

RSC Advances ◽  
2015 ◽  
Vol 5 (111) ◽  
pp. 91295-91301 ◽  
Author(s):  
Xin Chen ◽  
Qianli Yang ◽  
Bozhao Chu ◽  
Hang An ◽  
Yi Cheng
Keyword(s):  
Surface Modification ◽  
Metal Oxide ◽  
Plasma Treatment ◽  
Oxidative Dehydrogenation ◽  
Oxidation State ◽  
Active Sites ◽  
Oxygen Plasma ◽  
Catalyst Surface ◽  
Catalytic Performance ◽  
Phase Pure

This work presents a new method of catalyst surface modification by using oxygen plasma to change the oxidation state of active sites in metal oxide catalysts.

Direct synthesis, characterization and catalytic performance of Al-SBA-15 mesoporous catalysts with varying Si/Al molar ratios

2012 ◽  
Vol 20 (3) ◽  
pp. 539-546 ◽  
Author(s):  
Xiucheng Zheng ◽  
Beibei Dong ◽  
Chengyuan Yuan ◽  
Ke Zhang ◽  
Xiangyu Wang
Keyword(s):  
Direct Synthesis ◽  
Catalytic Performance ◽  
Mesoporous Catalysts ◽  
Molar Ratios
Sign in / Sign up

Export Citation Format

Share Document