TY - JOUR
T1 - Fe-decorated hierarchical molybdenum carbide for direct conversion of CO2into ethylene
T2 - Tailoring activity and stability
AU - Raghav, Himanshu
AU - Siva Kumar Konathala, L. N.
AU - Mishra, Neeraj
AU - Joshi, Bhanu
AU - Goyal, Reena
AU - Agrawal, Ankit
AU - Sarkar, Bipul
N1 - Publisher Copyright:
© 2020 Association for Computing Machinery. All rights reserved.
PY - 2021/8/1
Y1 - 2021/8/1
N2 - In the past few years, the production of olefins from various resources, particularly from carbon-rich sources, such as crude oil, natural gas, coal, and biomass, has received considerable attention. This study presented the production of light olefins by conducting CO2hydrogenation through modified Fischer-Tropsch synthesis (M-FTS) by employing a Fe-decorated large surface molybdenum carbide catalyst. A novel strategy was adopted for the synthesis of large surface mesoporous molybdenum carbide by using a hard template. A theoretical loading limit of Fe nanoparticles, calculated using density functional theory, was decorated over β-Mo2C through simple wetness impregnation. The trans isomers of Fe-doped β-Mo2C exhibited higher symmetry and were energetically slightly more stable for the hydrogenation of CO2into light olefins than the cis isomers. Under the optimized condition, Fe(0.5)-Mo2C showed 7.3% CO2conversion with 79.4% C2=olefins.
AB - In the past few years, the production of olefins from various resources, particularly from carbon-rich sources, such as crude oil, natural gas, coal, and biomass, has received considerable attention. This study presented the production of light olefins by conducting CO2hydrogenation through modified Fischer-Tropsch synthesis (M-FTS) by employing a Fe-decorated large surface molybdenum carbide catalyst. A novel strategy was adopted for the synthesis of large surface mesoporous molybdenum carbide by using a hard template. A theoretical loading limit of Fe nanoparticles, calculated using density functional theory, was decorated over β-Mo2C through simple wetness impregnation. The trans isomers of Fe-doped β-Mo2C exhibited higher symmetry and were energetically slightly more stable for the hydrogenation of CO2into light olefins than the cis isomers. Under the optimized condition, Fe(0.5)-Mo2C showed 7.3% CO2conversion with 79.4% C2=olefins.
KW - COhydrogenation
KW - Electronic structure
KW - Light olefin
KW - Mesoporous MoC
KW - Silica hard template
UR - http://www.scopus.com/inward/record.url?scp=85107481182&partnerID=8YFLogxK
U2 - 10.1016/j.jcou.2021.101607
DO - 10.1016/j.jcou.2021.101607
M3 - Article
AN - SCOPUS:85107481182
SN - 2212-9820
VL - 50
JO - Journal of CO2 Utilization
JF - Journal of CO2 Utilization
M1 - 101607
ER -