Linear Hydrocarbon Chain Growth from a Molecular Diruthenium Carbide Platform

2021 ◽  
Vol 143 (39) ◽  
pp. 16105-16112
Author(s):  
Jun Ohata ◽  
Akira Teramoto ◽  
Hiroaki Fujita ◽  
Shin Takemoto ◽  
Hiroyuki Matsuzaka
Keyword(s):  
Hydrocarbon Chain ◽  
Chain Growth

Computational exploration of Fe55@C240-catalyzed Fischer–Tropsch synthesis

2018 ◽  
Vol 20 (4) ◽  
pp. 2741-2753 ◽  
Author(s):  
Geraldine Cilpa-Karhu ◽  
Kari Laasonen
Keyword(s):  
Dft Calculations ◽  
Hydrocarbon Chain ◽  
Tropsch Synthesis ◽  
Chain Growth ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Co Insertion ◽  
Computational Exploration ◽  
Insertion Mechanism

DFT calculations showed possible hydrocarbon chain growth on Fe55@C240 preferentially via a CO insertion mechanism.

Fischer-Tropsch synthesis-A C2 initiator for hydrocarbon chain growth on ruthenium

1988 ◽  
Vol 1 (5) ◽  
pp. 121-125 ◽  
Author(s):  
C. A. Mims ◽  
L. E. McCandlish ◽  
M. T. Melchior
Keyword(s):  
Hydrocarbon Chain ◽  
Tropsch Synthesis ◽  
Chain Growth ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis

Hydrocarbon chain growth and hydrogenation on V(100): a density functional theory study

RSC Advances ◽  
2015 ◽  
Vol 5 (7) ◽  
pp. 4909-4917
Author(s):  
Hui Wang ◽  
Jing-Yao Liu ◽  
Zhifang Chai ◽  
Dongqi Wang
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
Co Hydrogenation ◽  
Hydrocarbon Chain ◽  
Carbon Chain ◽  
Chain Propagation ◽  
Chain Growth ◽  
Density Functional Theory Study ◽  
Functional Theory

The activation of CO, hydrogenation of CHx (x = 0–4) and C2Hy (y = 0–5) species and carbon chain propagation on V(100) were studied by means of periodic density functional theory (DFT) calculations.

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