메인메뉴바로가기

한양대학교 산학협력단

홈으로 바로가기 > 연구정보 > 연구성과 > 금주의 우수논문

연구성과 > 금주의 우수논문

페이스북 로그인트위터 로그인카카오톡 로그인메일 전송
view

SCI-E Article

Parallelized Reaction Pathway and Stronger Internal Band Bending by Partial Oxidation of Metal Sulfi
성명 송태섭()
소속 공과대학 에너지공학과
캠퍼스
우수선정주 2018년 07월 3째주
Author Choi, Junghyun (Dept Energy Engn); Kwon, Jiseok (Dept Energy Engn); Lee, Seung Woo (Dept Energy Engn); 송태섭 (Dept Energy Engn);
Corresponding Author Info Choi, H (reprint author), Korea Inst Sci & Technol, Ctr Computat Sci, 5 Hwarang Ro 14 Gil, Seoul 02792, South Korea.; Song, T (reprint author), Hanyang Univ, Dept Energy Engn, Seoul 04763, South Korea.; Mhin, S (reprint author), Korea Inst Ind Technol, 15
E-mail 이메일 아이콘tssong@hanyang.ac.kr
Document Type Article
Source ACS CATALYSIS Volume:8 Issue:5 Pages:4091-4102 Published:2018
Times Cited 0
External Information http://dx.doi.org/10.1021/acscatal.8b00017
Abstract The electrocatalytic performance of transition metal sulfide (TMS) graphene composites has been simply regarded as the results of high conductivity and the large surface/volume ratio. However, unavoidable factors such as degree of oxidation of TMSs have been hardly considered for the origin of this catalytic activity of TMS-graphene composites. To accomplish the reliable application of TMS-based electrocatalytic materials, a clear understanding of the thermodynamic stability of TMS and effects of oxidation on catalytic activity is necessary. In addition, the mechanism of charge transfer at the TMS-graphene interface must be studied in depth to properly design composite materials. Herein, we report a comprehensive study of the physical chemistry at the junction of a Co1-xNixS2-graphene composite, which is a prototype designed to unravel the mechanisms of charge transfer between TMS and graphene. Specifically, the thermodynamic stability and the effects of oxidation of TMSs during the oxygen evolution reaction (OER) on the reaction mechanism are systematically investigated using density functional theory (DFT) calculations and experimental observations. Cobalt atoms anchored on pyridinic N sites in the graphene support form metal semiconductor (SC) junctions, and the internal band bending at these junctions facilitates electron transfer from TMSs to graphene. The junction enables fast sinking of the excess electron from OH- adsorbate. Partially oxidized amorphous TMS layers formed during the OER can facilitate adsorption and desorption of OH and H atoms, boosting the OER performance of TMS graphene nanocomposites. from the DFT calculations, the enhanced electrocatalytic activity of TMS graphene nanocomposites originates from two important factors: (i) increased internal band bending and (ii) parallelized OER pathways at the interface of pristine and oxidized TMSs.
Web of Science Categories Chemistry, Physical
Funding National Research Foundation of Korea (NRF) - Ministry of Science, ICT & Future Planning [2016R1C1B2007299]; Korean Institute of Science and Technology Institutional project [2E26130]
Language English
페이스북 로그인트위터 로그인카카오톡 로그인메일 전송 리스트