The Role of Active Oxide Species for Electrochemical Water Oxidation on the Surface of 3d-Metal Phosphides

被引：134

作者：

Liu, Kaili ^{[1
,2
,3
]}

Wang, Fengmei ^{[1
]}

He, Peng ^{[1
]}

Shifa, Tofik Ahmed ^{[1
,2
]}

Wang, Zhenxing ^{[1
]}

Cheng, Zhongzhou ^{[1
]}

Zhan, Xueying ^{[1
]}

He, Jun ^{[1
,2
]}

机构：

[1] CAS Ctr Excellence Nanosci, Natl Ctr Nanosci & Technol, CAS Key Lab Nanosyst & Hierarch Fabricat, 11 ZhongGuanCun BeiYiTiao, Beijing 100190, Peoples R China

[2] Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China

[3] Sino Danish Ctr Educ & Res, Beijing 100190, Peoples R China

来源：

ADVANCED ENERGY MATERIALS | 2018年 / 8卷 / 15期

基金：

中国国家自然科学基金;

关键词：

density function theory; oxide species; oxygen evolution reaction; phosphides; BIFUNCTIONAL CATALYST; HYDROGEN GENERATION; EFFICIENT CATALYST; EVOLUTION; ELECTROLYSIS; ELECTROCATALYST; NANOPARTICLES; METALS;

D O I：

10.1002/aenm.201703290

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：

Transition metal phosphides (TMPs) have recently been utilized as promising electrocatalysts for oxygen evolution reaction (OER) in alkaline media. The metal oxides or hydroxides formed on their surface during the OER process are hypothesized to play an important role. However, their exact role is yet to be elucidated. Here unambiguous justification regarding the active role of oxo(hydroxo) species on O-Ni(1-x)FexP2 nanosheet with pyrite structure is shown. These O-Ni(1-x)FexP2 (x = 0.25) nanosheets demonstrate greatly improved OER performance than their corresponding hydroxide and oxide counterparts do. From density function theory (DFT) calculations, it is found that the introduction of iron into the pyrite-phased NiP2 alters OER steps occurred on the surface. Notably, the partially oxidized surface of O-Ni(1-x)FexP2 nanosheets is vital to improve the local environment and accelerate the reaction steps. This study sheds light on the OER mechanism of the 3d TMP electrocatalyst and opens up a way to develop efficient and low-cost electrocatalysts.

引用

页数：7

共 39 条

[1] PROJECTOR AUGMENTED-WAVE METHOD [J].