Journal of Physical Chemistry C, volume 123, issue 39, pages 24118-24132

What Is the Best Size of Subnanometer Copper Clusters for CO₂ Conversion to Methanol at Cu/TiO₂ Interfaces? A Density Functional Theory Study

Huilin Tao ¹

Yanli Li ¹

Xu Cai ¹

Hegen Zhou ^{1, 2}

Yi Li ^{1, 3}

Wei Lin ^{1, 3}

Shuping Huang ^{1, 3}

Kaining Ding ^{1, 3}

Wen-Kai Chen ^{1, 3}

Yongfan Zhang ^{1, 3}

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State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, Fujian 350116, China |

College of Chemical and Biological Engineering, Yichun University, Yichun, Jiangxi 336000, China |

Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, Xiamen, Fujian 361005, China |

Publication type: Journal Article

Publication date: 2019-09-09

American Chemical Society (ACS)

Journal: Journal of Physical Chemistry C

scimago Q1

SJR: 0.957

CiteScore: 6.5

Impact factor: 3.3

ISSN: 19327447, 19327455

DOI: 10.1021/acs.jpcc.9b06947

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Surfaces, Coatings and Films

Electronic, Optical and Magnetic Materials

Physical and Theoretical Chemistry

General Energy

Abstract

The activation and hydrogenation of CO2 at the Cu/TiO2 interfaces that are formed by depositing subnanometer Cun (n = 1–8) clusters on TiO2(110) surfaces have been systematically investigated using...

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Publisher

American Chemical Society (ACS)

Journal

Journal of Physical Chemistry C

scimago Q1

SJR

0.957

CiteScore

6.5

Impact factor

3.3

ISSN

19327447 (Print)

19327455 (Electronic)

What Is the Best Size of Subnanometer Copper Clusters for CO₂ Conversion to Methanol at Cu/TiO₂ Interfaces? A Density Functional Theory Study

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What Is the Best Size of Subnanometer Copper Clusters for CO₂ Conversion to Methanol at Cu/TiO₂ Interfaces? A Density Functional Theory Study