The sources of hydrogen affect the productivity and selectivity of CO2 photoreduction on SiC - Details

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Abstract：

Photocatalysis　of　CO2　into　CH4　and　O2　on　marigold-like　SiC@MoS2　has　recently　been　reported　with　high　product　yield　of　323　and　621　μL·g−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　μL·g−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　ΔGdes　(1.68　eV)　of　CO　is　close　to　the　ΔGmax　(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　(RWGS)　mechanism　has　much　lower　limiting　potential　than　those　proposed　in　the　experiments.　©　2020　Elsevier　B.V.

Keyword：

CO2 photoreduction; First-principles calculations; Reaction mechanism; Silicon carbide

Community：

[ 1 ] [Zheng, M.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
[ 2 ] [Li, Y.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
[ 3 ] [Li, Y.]Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen, Fujian 361005, China
[ 4 ] [Ding, K.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
[ 5 ] [Zhang, Y.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
[ 6 ] [Zhang, Y.]Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen, Fujian 361005, China
[ 7 ] [Chen, W.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
[ 8 ] [Chen, W.]Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen, Fujian 361005, China
[ 9 ] [Lin, W.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350108, China
[ 10 ] [Lin, W.]Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen, Fujian 361005, China

Reprint 's Address：

[Lin, W.]State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou UniversityChina

Email：

wlin@fzu.edu.cn

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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 HC Threshold：142

JCR Journal Grade：1

CAS Journal Grade：1

Cited Count：

WoS CC Cited Count：

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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