화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2021년 가을 (11/03 ~ 11/05, 대구 엑스코(EXCO))
권호 25권 2호
발표분야 포스터-전기화학
제목 Electrochemical CO2 reduction to HCOOH on Bi electrode and the reaction mechanisms determined by DFT in ion-supported electrolytes
초록 The as-synthesized multilayered, porous, dendritic Bi electrodes exhibit a faradaic efficiency (FE) of approximately 100% for formate production. Added halides and cations significantly influence the steady-state partial current density for formate production JFM (Cl->Br-&I-; Cs+>K+>Li+). DFT calculations revealed that the reaction pathway involving the species *OCOH occurs predominantly and the presence of both Cs+ (or K+) and Cl- makes the overall reaction more spontaneous on Bi (012) surfaces. For CsCl, delta G for *OCOH formation was greater (-1.46 eV) than not only the sum of all delta G values for Cs+ and Cl- (-0.62 eV and -0.71 eV, respectively), but also than that for KCl (-1.15 eV). This suggests that KCl and CsCl exert the same synergistic effect, while the latter is more effective than the former in the CO2RR.
저자 PIAO GUANGXIA, 박현웅
소속 경북대
키워드 Electrochemistry; CO2 reduction reaction; Bismuth electrode; ion effect; DFT
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