文献类型：期刊文献

英文题名：Promotional effect of nitrogen-doped and pore structure for the direct synthesis of hydrogen peroxide from hydrogen and oxygen by Pd/C catalyst at ambient pressure

作者：Jiang, Donghai Shi, Yongyong Zhou, Liming Ma, Jun Pan, Hongyan Lin, Qian

第一作者：蒋东海;Jiang, Donghai

通信作者：Pan, HY[1];Lin, Q[1];Pan, HY[2];Lin, Q[2]

机构：[1]Guizhou Univ, Sch Chem & Chem Engn, Guiyang 550025, Guizhou, Peoples R China;[2]Guizhou Univ, State Key Lab Publ Big Data, Guiyang 550025, Guizhou, Peoples R China;[3]Guizhou Key Lab Green Chem & Clean Energy Technol, Guiyang 550025, Guizhou, Peoples R China;[4]Guizhou Inst Technol, Sch Chem Engn, Guiyang 550003, Guizhou, Peoples R China

第一机构：Guizhou Univ, Sch Chem & Chem Engn, Guiyang 550025, Guizhou, Peoples R China

通信机构：corresponding author), Guizhou Univ, Sch Chem & Chem Engn, Guiyang 550025, Guizhou, Peoples R China;corresponding author), Guizhou Key Lab Green Chem & Clean Energy Technol, Guiyang 550025, Guizhou, Peoples R China.

年份：2023

卷号：16

期号：2

外文期刊名：ARABIAN JOURNAL OF CHEMISTRY

收录：;EI(收录号：20230113335888);Scopus(收录号：2-s2.0-85145260579);WOS:【SCI-EXPANDED(收录号:WOS:000933378300003)】；

基金：Thanks for the computing support of the State Key Laboratory of Public Big Data, Guizhou University. This work was financially supported by National Natural Science Foundation of China, China (Grant No.22068009), Natural Science Basic Research Program of Guizhou Province, China (Grant No. ZK [2022]088), Cultivation Project of Guizhou University, China (Grant No. [2020]38). the Open Project of Guizhou University Laboratory and Equipment Departments, China (No.SYSKF2022-045) and College Students innovation and entrepreneurship training program of Guizhou Institute of Technology, China (No.S202014440090)

语种：英文

外文关键词：Pd catalyst; H2O2 directly synthesizing; Porous carbon; Nitrogen-doped; DFT

摘要：Nitrogen-doped porous carbon is potential support for directly synthesizing H2O2 from H-2 and O-2. Here, density functional theory (DFT) was used to study the effect of N-doped porous carbon on H2O2 directly synthesized. The theoretical calculation results showed that N-doped improved H2O2 productivity and H2 conversion by increasing the dispersion of Pd nanoparticles and the Pd-0 /Pd2+ ratio. However, N-doped decreased H2O2 selectivity by reducing oxygen's dissociation energies. The experimental results showed that adjusting the pore structure of N-doped porous carbon could improve the adverse effects of N-doping for H2O2 selectivity. The H2O2 productivity and selectivity of Pd/C catalyst with a macropore-mesoporous-microporous hierarchical porous structure were up to 328.4 molH(2)O(2)center dot kg(cat)(-1) center dot h(-1) and 71.9 %, respectively, at ambient pressure. The macropore structure enhances the transfer and diffusion performance of the catalyst and effectively inhibits the effect of N-doping on OAO bond dissociation, which improves H2O2 productivity and selectivity. This research provides a possible solution for designing a high-performance Pd/C catalyst to directly synthesize H2O2 from H-2 and O-2 at ambient pressure. (c) 2022 The Authors. Published by Elsevier B.V. on behalf of King Saud University.