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pro vyhledávání: '"Thomas Senftle"'
Electrocatalytic conversion of nitrate in waste can enable efficient waste remediation (NO3- to N3) or waste valorization (NO3- to NH4+) depending on the selectivity of the catalyst. Palladium and copper electrocatalysts typically exhibit exceptional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c3f9ceced353626b64e67f9ebbe62250
https://doi.org/10.26434/chemrxiv-2022-93kwv-v2
https://doi.org/10.26434/chemrxiv-2022-93kwv-v2
Electrocatalytic conversion of nitrate in waste can enable efficient waste remediation (NO3- to N3) or waste valorization (NO3- to NH4+) depending on the selectivity of the catalyst. Palladium and copper electrocatalysts typically exhibit exceptional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::436660d4c3470f876e0ac84515742d62
https://doi.org/10.26434/chemrxiv-2022-93kwv
https://doi.org/10.26434/chemrxiv-2022-93kwv
Publikováno v:
The Journal of chemical physics. 156(16)
Feature selection (FS) methods often are used to develop data-driven descriptors (i.e., features) for rapidly predicting the functional properties of a physical or chemical system based on its composition and structure. FS algorithms identify descrip
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f7815ef5cc264a94b39f22b5561db8b
https://pubmed.ncbi.nlm.nih.gov/35490030
https://pubmed.ncbi.nlm.nih.gov/35490030
Autor:
Chun-Yen Liu, Thomas Senftle
Publikováno v:
Current Opinion in Chemical Engineering. 37:100832
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0048e2d5cb6220db331a2c7af42ec623
https://doi.org/10.1016/j.coche.2022.100832
https://doi.org/10.1016/j.coche.2022.100832
Autor:
Peng Wang, Thomas Senftle
We develop a simulation toolset employing density functional theory (DFT) in conjunction with grand canonical Monte Carlo (GCMC) to study coke formation on Fe-based catalysts during propane dehydrogenation (PDH). As expected, pure Fe surfaces develop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::231724668c7037cac05d810e6c11e105
https://doi.org/10.22541/au.162362413.34412165/v1
https://doi.org/10.22541/au.162362413.34412165/v1
Autor:
Michael Wong, Duan Lijie, Xianghua Wen, Chelsea Clark, Sujin Guo, Thomas Senftle, Bo Wang, Minghao Wang, Jacob Arredondo, Paul Westerhoff, Kimberly Heck, Yonghui Song
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c4b581e888d6252fbdecc60d5094b595
https://doi.org/10.1021/scimeetings.0c06720
https://doi.org/10.1021/scimeetings.0c06720