Zobrazeno 1 - 10
of 74
pro vyhledávání: '"Junwei Lucas, Bao"'
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-8 (2019)
Criegee intermediates have received much attention in atmospheric chemistry because of their importance in ozonolysis mechanisms. Here, using quantum mechanical kinetics, the authors reveal an unexpectedly fast mechanistic pathway for unimolecular re
Externí odkaz:
https://doaj.org/article/2884648f595e4ddd8db9b61c5cd7842e
Autor:
Minghe Lou, Junwei Lucas Bao, Linan Zhou, Gopal Narmada Naidu, Hossein Robatjazi, Aaron I. Bayles, Henry O. Everitt, Peter Nordlander, Emily A. Carter, Naomi J. Halas
Publikováno v:
ACS Energy Letters. 7:3666-3674
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::64f29638410842ced3ea4ea38d3c6a4a
https://doi.org/10.1021/acsenergylett.2c01755
https://doi.org/10.1021/acsenergylett.2c01755
Dual-Level Training of Gaussian Processes with Physically Inspired Priors for Geometry Optimizations
Autor:
Chong Teng, Yang Wang, Daniel Huang, Katherine Martin, Jean-Baptiste Tristan, Junwei Lucas Bao
Publikováno v:
Journal of Chemical Theory and Computation. 18:5739-5754
Gaussian process (GP) regression has been recently developed as an effective method in molecular geometry optimization. The prior mean function is one of the crucial parts of the GP. We design and validate two types of physically inspired prior mean
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::604998bf0c9053f60bc5b4b07dff71b2
https://doi.org/10.1021/acs.jctc.2c00546
https://doi.org/10.1021/acs.jctc.2c00546
Publikováno v:
Nano Research. 15:9670-9682
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::541a8b2e575441ea51aa4ee3607ec6c4
https://doi.org/10.1007/s12274-022-4582-1
https://doi.org/10.1007/s12274-022-4582-1
Publikováno v:
Journal of the American Chemical Society. 144:4828-4838
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0e226c35680e0383ff5818378579760e
https://doi.org/10.1021/jacs.1c12324
https://doi.org/10.1021/jacs.1c12324
Autor:
Cuimei Fu, Yonggang Wang, Tianxi Liu, Junwei Lucas Bao, Chengcheng Zhao, Lina Wang, Shiru Lin, Jin Wang
Publikováno v:
Energy Storage Materials. 45:1109-1119
The uncontrollable Li dendritic plating and infinite volumetric expansion significantly plague the practical applications of lithium (Li) metal, which is regarded as the most promising high-energy-density anode material for rechargeable batteries. Th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::954e49c1fdfeab1718f707dbbfe5dd90
https://doi.org/10.1016/j.ensm.2021.11.009
https://doi.org/10.1016/j.ensm.2021.11.009
Autor:
Yigao, Yuan, Linan, Zhou, Hossein, Robatjazi, Junwei Lucas, Bao, Jingyi, Zhou, Aaron, Bayles, Lin, Yuan, Minghe, Lou, Minhan, Lou, Suman, Khatiwada, Emily A, Carter, Peter, Nordlander, Naomi J, Halas
Publikováno v:
Science (New York, N.Y.). 378(6622)
Catalysts based on platinum group metals have been a major focus of the chemical industry for decades. We show that plasmonic photocatalysis can transform a thermally unreactive, earth-abundant transition metal into a catalytically active site under
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::b57b0b94ce26644d11708577443b1522
https://pubmed.ncbi.nlm.nih.gov/36423268
https://pubmed.ncbi.nlm.nih.gov/36423268
Publikováno v:
Computer Physics Communications. 288:108740
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e28d777920891a8bcdea5bf75d5506b3
https://doi.org/10.1016/j.cpc.2023.108740
https://doi.org/10.1016/j.cpc.2023.108740
Publikováno v:
The Journal of Physical Chemistry C. 125:19839-19846
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac76c8a5ab46ad14d178ea84eb7ba5ed
https://doi.org/10.1021/acs.jpcc.1c07133
https://doi.org/10.1021/acs.jpcc.1c07133
Autor:
Dunwei Wang, Ailun Wang, Yang Wang, Junwei Lucas Bao, Tongtong Luo, Chia-Kuang Tsung, Udayan Mohanty, Yang Li
Publikováno v:
ACS Applied Materials & Interfaces. 13:51974-51987
Metal-organic frameworks (MOF) are promising media for achieving solid-state Mg2+ conduction and developing a magnesium-based battery. To this end, the chemical behavior and transport properties of an Mg(TFSI)2/DME electrolyte system inside Mg-MOF-74
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0044e34a1e8a182cb0a610d1f3dd95b8
https://doi.org/10.1021/acsami.1c08392
https://doi.org/10.1021/acsami.1c08392