Rationally designed indium oxide catalysts for CO2 hydrogenation to methanol with high activity and selectivity

doi:10.1126/sciadv.aaz2060

	Rationally designed indium oxide catalysts for CO2 hydrogenation to methanol with high activity and selectivity
	Dang, Shanshan 1,2; Qin, Bin 1,2; Yang, Yong3 ; Wang, Hui 1,4; Cai, Jun3,5 ; Han, Yong3 ; Li, Shenggang1,3,4 ; Gao, Peng 1,2,4; Sun, Yuhan1,2,3,4
	2020-06
发表期刊	SCIENCE ADVANCES
ISSN	2375-2548
卷号	6 期号:25
发表状态	已发表
DOI	10.1126/sciadv.aaz2060
摘要	Renewable energy-driven methanol synthesis from CO2 and green hydrogen is a viable and key process in both the "methanol economy" and "liquid sunshine" visions. Recently, In2O3-based catalysts have shown great promise in overcoming the disadvantages of traditional Cu-based catalysts. Here, we report a successful case of theory-guided rational design of a much higher performance In(2)O(3 )nanocatalyst. Density functional theory calculations of CO2 hydrogenation pathways over stable facets of cubic and hexagonal In2O3 predict the hexagonal In2O3 (104) surface to have far superior catalytic performance. This promotes the synthesis and evaluation of In2O3 in pure phases with different morphologies. Confirming our theoretical prediction, a novel hexagonal In2O3 nanomaterial with high proportion of the exposed {104} surface exhibits the highest activity and methanol selectivity with high catalytic stability. The synergy between theory and experiment proves highly effective in the rational design and experimental realization of oxide catalysts for industry-relevant reactions.
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收录类别	SCI ; SCIE ; EI
语种	英语
资助项目	"Transformational Technologies for Clean Energy and Demonstration,"Strategic Priority Research Program of the Chinese Academy of Sciences[XDA21090204][XDA21090201] ; National Natural Science Foundation of China[21773286][U1832162][21573148][11227902][21802096] ; Youth Innovation Promotion Association CAS[2018330] ; Shanghai Rising-Star Program, China[19QA1409900] ; Ministry of Science and Technology of China[2018YFB0604700][2016YFA0202802] ; Chinese Academy of Sciences[ZDRW-ZS-2018-1-3]
WOS研究方向	Science & Technology - Other Topics
WOS类目	Multidisciplinary Sciences
WOS记录号	WOS:000542299800005
出版者	AMER ASSOC ADVANCEMENT SCIENCE
WOS关键词	OXYGEN VACANCIES ; MODEL CATALYST ; IN2O3 ; VALORIZATION ; GAS ; OIL
原始文献类型	Article
引用统计
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/121868
专题	物质科学与技术学院_博士生物质科学与技术学院_特聘教授组_孙予罕组物质科学与技术学院_特聘教授组_李圣刚组物质科学与技术学院_PI研究组_杨永组大科学中心_PI研究组_刘志组大科学中心大科学中心_公共科研平台_大科学装置建设部
通讯作者	Li, Shenggang; Gao, Peng; Sun, Yuhan
作者单位	1.Chinese Acad Sci, Shanghai Adv Res Inst, CAS Key Lab Low Carbon Convers Sci & Engn, Shanghai 201203, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China 4.Dalian Natl Lab Clean Energy, Dalian 116023, Peoples R China 5.Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China
通讯作者单位	物质科学与技术学院
推荐引用方式 GB/T 7714	Dang, Shanshan,Qin, Bin,Yang, Yong,et al. Rationally designed indium oxide catalysts for CO2 hydrogenation to methanol with high activity and selectivity[J]. SCIENCE ADVANCES,2020,6(25).
APA	Dang, Shanshan.,Qin, Bin.,Yang, Yong.,Wang, Hui.,Cai, Jun.,...&Sun, Yuhan.(2020).Rationally designed indium oxide catalysts for CO2 hydrogenation to methanol with high activity and selectivity.SCIENCE ADVANCES,6(25).
MLA	Dang, Shanshan,et al."Rationally designed indium oxide catalysts for CO2 hydrogenation to methanol with high activity and selectivity".SCIENCE ADVANCES 6.25(2020).