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author:

Zheng, Mei (Zheng, Mei.) [1] | Li, Yi (Li, Yi.) [2] (Scholars:李奕) | Ding, Kaining (Ding, Kaining.) [3] (Scholars:丁开宁) | Zhang, Yongfan (Zhang, Yongfan.) [4] (Scholars:章永凡) | Chen, Wenkai (Chen, Wenkai.) [5] (Scholars:陈文凯) | Lin, Wei (Lin, Wei.) [6] (Scholars:林伟)

Indexed by:

EI Scopus SCIE

Abstract:

Photocatalysis of CO2 into CH4 and O-2 on marigold-like SiC@MoS2 has recently been reported with high product yield of 323 and 621 mu Lg(-1)h(-1), respectively, where protons produced from MoS2 were directly used as hydrogen source for CO2 reduction on the SiC surfaces (JACS, 2018, 140, 14595). However, the yields are only 98.1 and 26.9 mu Lg(-1)h(-1) for CH4 and CO, respectively, if the hydrogen source is from the hydroxylated SiC (ChemComm, 2019, 55, 1572). To unravel the productivity and selectivity of the reaction, we first provide that the limiting potential of CO2 to CH4 on SiC(1 1 1) surface is -0.7 V lower than that of hydroxylated SiC(1 1 1) surface. Due to the Delta f(des) (1.68 eV) of CO is close to the Delta f(max) (1.33 eV) of the hydroxylated SiC(1 1 1) surface, a small amount of CO are produced. Furthermore, we found the reverse water-gas shift (RWfS) mechanism has much lower limiting potential than those proposed in the experiments.

Keyword:

CO2 photoreduction First-principles calculations Reaction mechanism Silicon carbide

Community:

  • [ 1 ] [Zheng, Mei]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China
  • [ 2 ] [Li, Yi]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China
  • [ 3 ] [Ding, Kaining]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China
  • [ 4 ] [Zhang, Yongfan]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China
  • [ 5 ] [Chen, Wenkai]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China
  • [ 6 ] [Lin, Wei]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China
  • [ 7 ] [Li, Yi]Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Fujian, Peoples R China
  • [ 8 ] [Zhang, Yongfan]Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Fujian, Peoples R China
  • [ 9 ] [Chen, Wenkai]Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Fujian, Peoples R China
  • [ 10 ] [Lin, Wei]Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Fujian, Peoples R China

Reprint 's Address:

  • 林伟

    [Lin, Wei]Fuzhou Univ, Coll Chem, State Key Lab Photocatalysis Energy & Environm, Fuzhou 350108, Peoples R China

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Source :

APPLIED SURFACE SCIENCE

ISSN: 0169-4332

Year: 2021

Volume: 538

7 . 3 9 2

JCR@2021

6 . 3 0 0

JCR@2023

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:142

JCR Journal Grade:1

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 7

SCOPUS Cited Count: 7

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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