기관회원 [로그인]
소속기관에서 받은 아이디, 비밀번호를 입력해 주세요.
개인회원 [로그인]

비회원 구매시 입력하신 핸드폰번호를 입력해 주세요.
본인 인증 후 구매내역을 확인하실 수 있습니다.

회원가입
서지반출
Adsorption and Dissociation Reaction of Carbon Dioxide on Pt(111) and Fe(111) Surface: MO-study
[STEP1]서지반출 형식 선택
파일형식
@
서지도구
SNS
기타
[STEP2]서지반출 정보 선택
  • 제목
  • URL
돌아가기
확인
취소
  • Adsorption and Dissociation Reaction of Carbon Dioxide on Pt(111) and Fe(111) Surface: MO-study
  • Adsorption and Dissociation Reaction of Carbon Dioxide on Pt(111) and Fe(111) Surface: MO-study
저자명
조상준,박동호,허도성,Jo. Sang Jun,Park. Dong Ho,Heo. Do Seong
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2000년|21권 8호|pp.779-784 (6 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
PDF텍스트
주제분야
기타
이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

Comparing the adsorption properties and dissociation on a Pt(111) iththat ona Fe(111) surface, we have con-sidered seven coordination modes of the adsorbed binding site: $di-${sigma}$${Delta}$mupi/mu$</TEX>, 1-fbld,2-fold, and 3-fbld sites. On the Pt(111) surface, t he adsorbed binding site of carbon dioxide was strongestat the1-fold site and weakest at the $pi/mu-site.$ The adsorbed binding site on the Fe(111) surface was strongest at the di-бsite and weakest at the 3-fold site. We have found that the binding energy at each site that excepted 3-fold on the Fe(111) surface was stronger than the binding energy on the Pt(111) surface and that chemisorbed $CO_2bends$ because of metal mixing with $2piu${ ightarrow}$6a_1CO_2orbital.$</TEX>, The dissociation reaction occured in two steps, with an intermediate com-plex composed of atomic oxygen and ${pi}bonding$ CO forming. The OCO angles of reaction intermediate com-plex structure for the dissociation reaction $were115^{circ}Con$ the Pt(111), and $117^{circ}C$ on the Fe(111) surface. We have found that the $CO_2dissociation$ rea11) surface proceeds easily,with an activationenergy about 0.2 eV lower than that on the Pt(111) surface.