CO oxidative coupling to dimethyl oxalate over Pd–Me (Me = Cu, Al) catalysts: a combined DFT and kinetic study

2018 ◽  
Vol 20 (10) ◽  
pp. 7317-7332 ◽  
Author(s):  
Bingying Han ◽  
Xue Feng ◽  
Lixia Ling ◽  
Maohong Fan ◽  
Ping Liu ◽  
...  
Keyword(s):  
Kinetic Study ◽  
Bimetallic Catalysts ◽  
Oxidative Coupling ◽  
Catalytic Performance ◽  
Dimethyl Oxalate ◽  
The Cost

Pd–Al bimetallic catalysts can effectively enhance the catalytic performance and greatly reduce the cost of Pd for DMO synthesis.

Catalytic performance of Na-Mn2O3-based catalysts towards oxidative coupling of methane

2021 ◽  
Author(s):  
P. Saychu ◽  
M. Thanasiriruk ◽  
C. Khajonvittayakul ◽  
R. Viratikul ◽  
V. Tongnan ◽  
...  
Keyword(s):  
Oxidative Coupling ◽  
Catalytic Performance ◽  
Oxidative Coupling Of Methane

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.

scholarly journals Effect of facile nitrogen doping on catalytic performance of NaW/Mn/SiO2 for oxidative coupling of methane

2021 ◽  
Vol 292 ◽  
pp. 120161
Author(s):  
Heeyeon Kim ◽  
Suhyeong Lee ◽  
Seoyoung Jang ◽  
Ji-haeng Yu ◽  
Jong Suk Yoo ◽  
...  
Keyword(s):  
Oxidative Coupling ◽  
Nitrogen Doping ◽  
Catalytic Performance ◽  
Oxidative Coupling Of Methane

Shape- and size-controlled synthesis of Cu nanoparticles wrapped on RGO nanosheet catalyst and their outstanding stability and catalytic performance in the hydrogenation reaction of dimethyl oxalate

2018 ◽  
Vol 6 (39) ◽  
pp. 19133-19142 ◽  
Author(s):  
Mohamed Abbas ◽  
Zheng Chen ◽  
Jiangang Chen
Keyword(s):  
Catalytic Performance ◽  
Hydrogenation Reaction ◽  
Controlled Synthesis ◽  
Cu Nanoparticles ◽  
Dimethyl Oxalate ◽  
Size Controlled ◽  
Shape And Size

A novel sonochemical approach was developed for the synthesis of morphology-controlled Cu NPs wrapped on RGO NSs catalysts and their superior stability and catalytic performance in dimethyl oxalate hydrogenation reaction.

Redox properties and catalytic performance of complex oxides in oxidative coupling of methane

1994 ◽  
Vol 21 (2-3) ◽  
pp. 371-376 ◽  
Author(s):  
M.Yu. Sinev ◽  
V.Yu Bychkov ◽  
V.N. Korchak ◽  
Yu.P. Tulenin ◽  
Z.T. Fattakhova ◽  
...  
Keyword(s):  
Oxidative Coupling ◽  
Complex Oxides ◽  
Catalytic Performance ◽  
Oxidative Coupling Of Methane ◽  
Redox Properties
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