Design and performance of a novel high-efficiency WO₃-based combustion catalyst and its catalytic mechanism

To develop efficient combustion catalyst for solid propellants, a novel WO3-based composite (CuX-WO3/Biochar) was designed by the method of doping and loading. As a dopant, Cu has the advantages of producing multiple bands, inhibiting grain growth and restraining exciton–exciton collisions. Meanwhil...

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Main Authors: Dong, Shuai, Hu, Jun, Qin, Zhao, Li, Hui, Chen, Suhang, Chen, Zhong, Xu, Kangzhen
Other Authors: School of Materials Science and Engineering
Format: Article
Language:English
Published: 2023
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Online Access:https://hdl.handle.net/10356/172251
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-1722512023-12-04T04:30:15Z Design and performance of a novel high-efficiency WO₃-based combustion catalyst and its catalytic mechanism Dong, Shuai Hu, Jun Qin, Zhao Li, Hui Chen, Suhang Chen, Zhong Xu, Kangzhen School of Materials Science and Engineering Engineering::Materials Element Doping Biochar To develop efficient combustion catalyst for solid propellants, a novel WO3-based composite (CuX-WO3/Biochar) was designed by the method of doping and loading. As a dopant, Cu has the advantages of producing multiple bands, inhibiting grain growth and restraining exciton–exciton collisions. Meanwhile, biochar is cheap and available as a carrier, which can effectively inhibit the agglomeration of nanomaterials. Therefore, in this work, Cu-doped WO3 nanoparticles were uniformly anchored on surface of biochar by in-situ solvothermal reaction combined calcination method, which significantly increased the surface-active area, and was firstly applied to catalytic decomposition and laser ignition of ammonium perchlorate (AP), 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) and 5,5′-bistetrazole-1,1′-diolate (TKX-50). With the introduction of CuX-WO3/Biochar, decomposition peak temperature of AP, RDX and TKX-50 diminished by 97.0, 6.7 and 37.9℃, and activation energy decreased by 14.4, 93.5 and 22.6 kJ mol−1, respectively. Simultaneously, flame brightness, flame area and flame propagation speed during combustion of RDX and TKX-50 were evidently improved after CuX-WO3/Biochar was added. Finally, electron transfer mechanism of catalytic thermal decomposition of energetic materials was deduced based on Density Functional Theory (DFT) calculation and characterization analysis. This study will provide a new insight into development of combustion catalysts. This investigation received financial assistance from the National Natural Science Foundation of China (21673178, 22105160), the National Defense Science and Technology Key Laboratory (2021-JCJQ-LB037), the Natural Science Foundation of Shaanxi Province (2023-JC-ZD07)Science and Technology on Applied Physical Chemistry Laboratory, China (WDYX22614260206), Financial support from special project of Shaanxi Provincial Education Department (20JC034) and the Shaanxi Key Science and Technology Innovation Team Project (2022TD-33). 2023-12-04T04:30:15Z 2023-12-04T04:30:15Z 2023 Journal Article Dong, S., Hu, J., Qin, Z., Li, H., Chen, S., Chen, Z. & Xu, K. (2023). Design and performance of a novel high-efficiency WO₃-based combustion catalyst and its catalytic mechanism. Applied Surface Science, 624, 157130-. https://dx.doi.org/10.1016/j.apsusc.2023.157130 0169-4332 https://hdl.handle.net/10356/172251 10.1016/j.apsusc.2023.157130 2-s2.0-85151288073 624 157130 en Applied Surface Science © 2023 Elsevier B.V. All rights reserved.
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Engineering::Materials
Element Doping
Biochar
spellingShingle Engineering::Materials
Element Doping
Biochar
Dong, Shuai
Hu, Jun
Qin, Zhao
Li, Hui
Chen, Suhang
Chen, Zhong
Xu, Kangzhen
Design and performance of a novel high-efficiency WO₃-based combustion catalyst and its catalytic mechanism
description To develop efficient combustion catalyst for solid propellants, a novel WO3-based composite (CuX-WO3/Biochar) was designed by the method of doping and loading. As a dopant, Cu has the advantages of producing multiple bands, inhibiting grain growth and restraining exciton–exciton collisions. Meanwhile, biochar is cheap and available as a carrier, which can effectively inhibit the agglomeration of nanomaterials. Therefore, in this work, Cu-doped WO3 nanoparticles were uniformly anchored on surface of biochar by in-situ solvothermal reaction combined calcination method, which significantly increased the surface-active area, and was firstly applied to catalytic decomposition and laser ignition of ammonium perchlorate (AP), 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) and 5,5′-bistetrazole-1,1′-diolate (TKX-50). With the introduction of CuX-WO3/Biochar, decomposition peak temperature of AP, RDX and TKX-50 diminished by 97.0, 6.7 and 37.9℃, and activation energy decreased by 14.4, 93.5 and 22.6 kJ mol−1, respectively. Simultaneously, flame brightness, flame area and flame propagation speed during combustion of RDX and TKX-50 were evidently improved after CuX-WO3/Biochar was added. Finally, electron transfer mechanism of catalytic thermal decomposition of energetic materials was deduced based on Density Functional Theory (DFT) calculation and characterization analysis. This study will provide a new insight into development of combustion catalysts.
author2 School of Materials Science and Engineering
author_facet School of Materials Science and Engineering
Dong, Shuai
Hu, Jun
Qin, Zhao
Li, Hui
Chen, Suhang
Chen, Zhong
Xu, Kangzhen
format Article
author Dong, Shuai
Hu, Jun
Qin, Zhao
Li, Hui
Chen, Suhang
Chen, Zhong
Xu, Kangzhen
author_sort Dong, Shuai
title Design and performance of a novel high-efficiency WO₃-based combustion catalyst and its catalytic mechanism
title_short Design and performance of a novel high-efficiency WO₃-based combustion catalyst and its catalytic mechanism
title_full Design and performance of a novel high-efficiency WO₃-based combustion catalyst and its catalytic mechanism
title_fullStr Design and performance of a novel high-efficiency WO₃-based combustion catalyst and its catalytic mechanism
title_full_unstemmed Design and performance of a novel high-efficiency WO₃-based combustion catalyst and its catalytic mechanism
title_sort design and performance of a novel high-efficiency wo₃-based combustion catalyst and its catalytic mechanism
publishDate 2023
url https://hdl.handle.net/10356/172251
_version_ 1784855544506351616