标题:W supported on g-CN manifests high activity and selectivity for N-2 electroreduction to NH3
作者:Wang, Shuhua; Wei, Wei; Lv, Xingshuai; Huang, Baibiao; Dai, Ying
通讯作者:Wei, Wei;Wei, W;Dai, Y
作者机构:[Wang, Shuhua; Wei, Wei; Lv, Xingshuai; Huang, Baibiao; Dai, Ying] Shandong Univ, State Key Lab Crystal Mat, Sch Phys, Jinan 250100, Peoples R China.
会议名称:10th International Conference on Materials for Advanced Technologies (ICMAT) - Symposium P on Advanced Inorganic Materials and Thin Film Technology for Solar Energy Harvesting and Electronic Application
会议日期:JUN 23-28, 2019
来源:JOURNAL OF MATERIALS CHEMISTRY A
出版年:2020
卷:8
期:3
页码:1378-1385
DOI:10.1039/c9ta10935h
摘要:In comparison to the conventional Haber-Bosch (H-B) process, electrochemical N-2 fixation is a more promising approach for NH3 production due to its environmentally-friendly process and feasibility under ambient conditions. In this work, by means of first-principles calculations, a series of transition metal (TM) atoms (Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Mo and W) supported on a new kind of graphitic carbon nitride (g-CN) were evaluated for N-2 fixation. The results indicate that the thermally and dynamically stable W/g-CN could be a promising candidate for the N-2 reduction reaction (NRR) with high catalytic activity, with the onset potential being only 0.34 V. In addition, W/g-CN shows high selectivity to the NRR with the effective suppression of the hydrogen evolution reaction (HER), with the Faradaic efficiency (FE) being 100%. It can be highlighted from this work that the metal-support interaction, which alters the local geometric and electronic features, is determinative for the NRR performance, thus providing prospects for the design of effective NRR catalysts.
收录类别:CPCI-S;EI;SCOPUS;SCIE
资源类型:会议论文;期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85078703965&doi=10.1039%2fc9ta10935h&partnerID=40&md5=b4e901d4a2d0dee7a0c99ff194f329ed
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