Unravelling the interface of Co-Pi/Ag/Fe2O3 and Ni-Pi/Ag/Fe2O3 heterostructures for enhanced solar water splitting

被引：1

作者：

Chen, Chongyang ^{[1
]}

Xu, Weiwei ^{[1
]}

Tang, Chao ^{[1
]}

Li, Youyong ^{[1
]}

Xu, Lai ^{[1
]}

机构：

[1] Soochow Univ, Inst Funct Nano & Soft Mat FUNSOM, Jiangsu Key Lab Carbon Based Funct Mat & Devices, 199 Renai Rd, Suzhou 215123, Jiangsu, Peoples R China

来源：

MOLECULAR SIMULATION | 2018年 / 44卷 / 17期

关键词：

Haematite; cobalt phosphate; solar water splitting; nickel phosphate; ALPHA-FE2O3; SURFACES; NANOSTRUCTURE; PHOTOANODES; OXIDATION; CO;

D O I：

10.1080/08927022.2018.1511900

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Recently, a new type of haematite-based (a-Fe2O3) photoanode has achieved a considerable catalytic performance through simply depositing Ag and cobalt phosphate (Co-Pi) nanoparticles (NPs) onto haematite nanosheets. However, there is no detailed mechanism study on the reason for high-performance catalysis. In view of this, we conduct first-principles calculations and our results indicate that there is a further accumulation of positive charge on Ag NPs on the heterogeneous interfaces with the addition of Co-Pi NPs than that of haematite modified only by Ag NPs. Also, there is a slight increase of the adsorption energy of water molecules.

引用

页码：1387 / 1392

页数：6

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