文献类型：期刊文献

英文题名：Pristine, metal ion and metal cluster modified conjugated triazine frameworks as electrocatalysts for hydrogen evolution reaction

作者：Zhang, Boying[1];Zhang, Yunrui[1,5];Hou, Meiling[2];Wang, Wenbo[1];Hu, Shuozhen[3];Cen, Wanglai[4];Cao, Xuepu[1];Qiao, Shanlin[1];Han, Bao-Hang[5,6]

机构：[1]Hebei Univ Sci & Technol, Coll Chem & Pharmaceut Engn, Shijiazhuang 050018, Hebei, Peoples R China;[2]Hebei Normal Univ, Coll Engn, Shijiazhuang 050024, Hebei, Peoples R China;[3]East China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[4]Sichuan Univ, Inst New Energy & Low Carbon Technol & Natl Engn, Chengdu 610065, Peoples R China;[5]Natl Ctr Nanosci & Technol, CAS Ctr Excellence Nanosci, CAS Key Lab Nanosyst & Hierarch Fabricat, Beijing 100190, Peoples R China;[6]Univ Chinese Acad Sci, Beijing 100049, Peoples R China

年份：2021

卷号：9

期号：16

起止页码：10146

外文期刊名：JOURNAL OF MATERIALS CHEMISTRY A

收录：;EI(收录号：20211810292656);WOS:【SCI-EXPANDED(收录号:WOS:000639271200001)】；

基金：We are grateful to the National Natural Science Foundation of China (Grant No. 21805068 and 22075060).

语种：英文

外文关键词：Conjugated polymers - Electrocatalysts - Hydrogen - Catalyst activity - Electronic properties - Metals - Pore size

摘要：Two-dimensional covalent triazine frameworks (2D-CTFs) are N-rich conjugated porous polymers in which high porosity, adjustable electronic property, and abundant active sites are advantageous to electrochemical water-splitting. Herein, we synthesize two crystalline 2D-CTFs with different pore sizes, namely BPY-CTF with single-sized pores and DCP-CTF with heteropores. Via the confinement effect of porous structure, metal ions (copper, cobalt, nickel, palladium, and platinum) and their corresponding nanoscale metal clusters are inserted into bulk CTFs as catalytically active sites to improve the catalytic activity for water-splitting. The as-synthesized CTFs, CTF-M2+, and CTF@MC were evaluated as HER catalysts in acidic solution. The symbiotic DCP-CTF-Pt2+ demonstrated a remarkable electrocatalytic performance, with an overpotential of 46 mV and a Tafel slope of 30.2 mV dec(-1), comparable to those of commercial 20% Pt/C. Furthermore, we employed the Vienna ab initio simulation package (VASP) with the projector augmented wave method to conduct first principle calculations to reveal the electrocatalytic activity, which indicated that the excellent catalytic activity of DCP-CTF-Pt2+ arises from the synergetic effect of intrinsic porosity and adjacent double N anchor sites, which coordinate metal ions, sharply increasing the catalytic kinetics and stability of HER.