Effects of the S-Doped Carbon Supported Pt Catalyst on Oxygen Reduction Reaction by Density Functional Theory

被引：0

作者：

Ye, Weizhen ^{[1
]}

Ren, Qiang ^{[1
]}

Wang, Chunlu ^{[1
]}

Qu, Yakun ^{[1
]}

机构：

[1] SINOPEC Research Institute of Petroleum Processing Co., Ltd., Beijing,100083, China

来源：

Shiyou Xuebao, Shiyou Jiagong/Acta Petrolei Sinica (Petroleum Processing Section) | 2024年 / 40卷 / 04期

关键词：

The effects of S-dopcd and un-dopcd carbon supported Pt catalysts on oxygen reduction reaction (ORR) were studicd by density functional theory. The metal-support interaction was analyzed from three aspects: charge distribution; density of states and d-band center. Moreover; the adsorption of ORR intermediates on catalysts was studied; and the overpotential of ORR was calculated. The rcsults show that S-doping caused electrons transfer on the surfacc of carbon carrier; and the electrons on S were transferred to adjacent C atoms. After loading Pt particles; the electrons on Pt metal were transferred to carbon carrier. This also suggests that the adsorption of Pt on S-doped carbon carrier is stronger; thus forming the Pt—C and Pt—S bonds; and further enhancing the dispersion and stability of Pt nanoparticles. Then S-doping lowers d-band center of the catalyst; thus weakening the adsorption of ORR intermediates; and decreasing the overpotential of ORR; which indicates that the catalytic activity of catalyst can be improved by doping S. © 2024 Editorial Office of Acta Petrolei Sinica. All rights reserved;

D O I：

10.3969/j.issn.1001-8719.2024.04.009

中图分类号：

学科分类号：

摘要：

引用

页码：931 / 941

共 50 条

[41] Improved durability of Pt catalyst supported on N-doped mesoporous graphitized carbon for oxygen reduction reaction in polymer electrolyte membrane fuel cells
Jung, Won Suk
Popov, Branko N.
CARBON, 2017, 122 : 746 - 755
[42] Polyaniline nanofiber supported Pt catalyst with optimized Pt nanoparticle size for enhanced oxygen reduction reaction
Yang, Xinyi
Song, Rui
Tian, Fang
Ding, Chen
Du, Haitao
Liu, Qingting
Zhang, Rong
Hu, Shengfei
Li, Xiao
Fu, Xudong
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2024, 82 : 225 - 232
[43] Oxygen Reduction Reaction on sulfur doped graphene by density functional study
Sun, J. P.
Liang, X. D.
ADVANCES IN ENERGY, ENVIRONMENT AND MATERIALS SCIENCE, 2016, : 647 - 651
[44] Synthesis and functionalization of green carbon as a Pt catalyst support for the oxygen reduction reaction
Reyes-Rodriguez, J. L.
Sathish-Kumar, K.
Solorza-Feria, O.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2015, 40 (48) : 17253 - 17263
[45] Pt/Carbon Catalyst Layer Microstructural Effects on Measured and Predicted Tafel Slopes for the Oxygen Reduction Reaction
Banham, Dustin W.
Soderberg, Jeff N.
Birss, Viola I.
JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 113 (23): : 10103 - 10111
[46] Density Functional Theory Study of the Oxygen Reduction Reaction Mechanism on Graphene Doped with Nitrogen and a Transition Metal
Vinogradov, Kirill Yurievich
Bulanova, Anzhela Vladimirovna
Shafigulin, Roman Vladimirovich
Tokranova, Elena Olegovna
Mebel, Alexander Moiseevich
Zhu, Hong
ACS OMEGA, 2022, 7 (08): : 7066 - 7073
[47] Density functional theory study of active sites on nitrogen-doped graphene for oxygen reduction reaction
Yan, Ping
Shu, Song
Zou, Longhua
Liu, Yongjun
Li, Jianjun
Wei, Fusheng
ROYAL SOCIETY OPEN SCIENCE, 2021, 8 (09):
[48] Density Functional Theory Study of Oxygen Reduction Reaction on Different Types of N-Doped Graphene
Wang Jun
Li Li
Wei Zi-Dong
ACTA PHYSICO-CHIMICA SINICA, 2016, 32 (01) : 321 - 328
[49] Screening of catalytic oxygen reduction reaction activity of metal-doped graphene by density functional theory
Chen, Xin
Chen, Shuangjing
Wang, Jinyu
APPLIED SURFACE SCIENCE, 2016, 379 : 291 - 295
[50] One-pot synthesis of Fe/N/S-doped porous carbon nanotubes for efficient oxygen reduction reaction
Tan, Zhong
Li, Huanxin
Feng, Qiaoxia
Jiang, Lanlan
Pan, Hongyu
Huang, Zhongyuan
Zhou, Qiang
Zhou, Haihui
Ma, Shuai
Kuang, Yafei
JOURNAL OF MATERIALS CHEMISTRY A, 2019, 7 (04) : 1607 - 1615

← 1 2 3 4 5 →