期刊
CHEMSUSCHEM
卷 14, 期 20, 页码 4563-4572出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cssc.202101037
关键词
adsorption; electrocatalysis; hydrogenation; hydrogenolysis; 5-hydroxymethylfurfural
资金
- U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0020983]
- National Science Foundation [ACI-1548562, TG-CHE120088]
- Korea Institute of Science and Technology (KIST) institutional program
- National Research Foundation of Korea (NRF) - Ministry of Science and ICT [2020M3H4A1A02084590]
- U.S. Department of Energy (DOE) [DE-SC0020983] Funding Source: U.S. Department of Energy (DOE)
- National Research Foundation of Korea [2020M3H4A1A02084590] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
The study demonstrates how the adsorption energy of HMF on metal surfaces and the resulting changes in the intramolecular bond lengths of adsorbed HMF directly impact the reduction pathways of HMF through combined experimental and computational investigations, providing insights into a general trend in behaviors observed using various metal electrodes for HMF reduction.
5-Hydroxymethylfurfural (HMF), which can be derived from lignocellulosic biomass, is an important platform molecule that can be used to produce valuable biofuels and polymeric materials. Electrochemical reduction of HMF is of great interest as it uses water as the hydrogen source and achieves desired reduction reactions at room temperature and ambient pressure. Hydrogenation and hydrogenolysis are two important reactions for reductive HMF conversion. Therefore, elucidating key characteristics of electrocatalysts that govern the selectivity for hydrogenation and hydrogenolysis is critical in rationally developing efficient and selective electrocatalysts. In this study, combined experimental and computational investigations are used to demonstrate how the adsorption energy of HMF on metal surfaces and the resulting changes in the intramolecular bond lengths of adsorbed HMF directly impact the reduction pathways of HMF. These results make it possible to rationally understand a general trend in the behaviors observed when using various metal electrodes for HMF reduction.
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