Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Dmitry Sharapa"'
Publikováno v:
Physical Review Research, Vol 4, Iss 1, p 013232 (2022)
We report a type of termination of the α-Al_{2}O_{3}(0001) surface with low concentration of hydroxyl groups. Using density functional theory calculations, we show that this termination is more stable than previously reported structures for low chem
Externí odkaz:
https://doaj.org/article/06880b2f22ec451eaed7e817376f4f90
Autor:
Vladimir Akhmetov, Mikhail Feofanov, Cordula Ruppenstein, Josefine Lange, Dmitry Sharapa, Marjan Krstić, Frank Hampel, Evgeny A. Kataev, Konstantin Amsharov
Publikováno v:
Chemistry – A European Journal. 28
Publikováno v:
Physical Review Research. 4
Publikováno v:
Molecules, 27 (3), Art.-Nr.: 912
Molecules; Volume 27; Issue 3; Pages: 912
Molecules, Vol 27, Iss 912, p 912 (2022)
Molecules; Volume 27; Issue 3; Pages: 912
Molecules, Vol 27, Iss 912, p 912 (2022)
We report a theoretical study of the adsorption of a set of small molecules (C2H2, CO, CO2, O2, H2O, CH3OH, C2H5OH) on the metal centers of the “copper paddle-wheel”—a key structural motif of many MOFs. A systematic comparison between DFT of di
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ad4193286ba9a9a190f04ac3af9acdd
https://publikationen.bibliothek.kit.edu/1000142844/145172606
https://publikationen.bibliothek.kit.edu/1000142844/145172606
Autor:
Vladimir Akhmetov, Mikhail Feofanov, Cordula Ruppenstein, Josefine Lange, Dmitry Sharapa, Marjan Krstić, Frank Hampel, Evgeny A. Kataev, Konstantin Amsharov
Publikováno v:
Chemistry-A European Journal, 28 (31), e202200584
We have discovered a dual (i. e., soft and hard) Lewis acidity of alumina that enables rapid one-pot π-extension through the activation of terminal alkynes followed by C-F activation. The tandem reaction introduces an acenaphthene fragment - an esse
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64f1b3d33e4b0e386b9f1dda2ceb1484
https://publikationen.bibliothek.kit.edu/1000146070
https://publikationen.bibliothek.kit.edu/1000146070
Publikováno v:
Green Chemistry, 24 (12), 4761–4765
Pre-treated γ-alumina features reactive centers mimicking electronic interactions of propargyls with transition-metal-based catalysts. The combination of soft π-Lewis acidity and Brønsted basicity allows C-H propargyl activation under mild conditi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6eb6cbba107a5703b9579b0278d3902
https://publikationen.bibliothek.kit.edu/1000148608/149673513
https://publikationen.bibliothek.kit.edu/1000148608/149673513
Autor:
Sihang, Liu, Chengsheng, Yang, Shenjun, Zha, Dmitry, Sharapa, Felix, Studt, Zhi-Jian, Zhao, Jinlong, Gong
Publikováno v:
Angewandte Chemie (International ed. in English). 61(2)
Cobalt-copper (CoCu) catalysts have industrial potential in CO/CO