Zobrazeno 1 - 10
of 183
pro vyhledávání: '"Georgi N, Vayssilov"'
Autor:
Kristina K. Chakarova, Mihail Y. Mihaylov, Bayan S. Karapenchev, Iskra Z. Koleva, Georgi N. Vayssilov, Hristiyan A. Aleksandrov, Konstantin I. Hadjiivanov
Publikováno v:
Molecules, Vol 29, Iss 15, p 3608 (2024)
Ceria and ceria-based catalysts are very important in redox and acid-base catalysis. Nanoceria have also been found to be important in biomedical applications. To design efficient materials, it is necessary to thoroughly understand the surface chemis
Externí odkaz:
https://doaj.org/article/6ae7519cea0f43639635e67334d7fd5f
Publikováno v:
Nanomaterials, Vol 14, Iss 2, p 159 (2024)
We report ab initio molecular dynamic simulations of the organic structure-directing agent (OSDA) in the channels of SCM-14 and SCM-15 germanosilicates for models with different germanium distribution. Since OSDA was free to move inside the channels,
Externí odkaz:
https://doaj.org/article/84ed6b9187cf449582488ba57e9d52dd
Autor:
Konstantin Khivantsev, Nicholas R. Jaegers, Hristiyan A. Aleksandrov, Libor Kovarik, Miroslaw A. Derewinski, Yong Wang, Georgi N. Vayssilov, Janos Szanyi
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-8 (2021)
CO oxidation is of importance both for inorganic and living systems. Here the authors demonstrate that CO can be oxidized by nitrate in small-pore SSZ-13 zeolite at a temperature below −100 °C using spectroscopy and density functional theory calcu
Externí odkaz:
https://doaj.org/article/1bc86d0405404f7e9cbbf208f08a3134
Autor:
Dong Gun Oh, Hristiyan A. Aleksandrov, Haneul Kim, Iskra Z. Koleva, Konstantin Khivantsev, Georgi N. Vayssilov, Ja Hun Kwak
Publikováno v:
Molecules, Vol 28, Iss 4, p 1957 (2023)
Pd-based catalysts are widely used in the oxidation of CH4 and have a significant impact on global warming. However, understanding their active sites remains controversial, because interconversion between Pd and PdO occurs consecutively during the re
Externí odkaz:
https://doaj.org/article/a02947385bd84ec0a1139dc3165c4d0f
Publikováno v:
ACS Catalysis. 13:5358-5374
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bce0c37f6ebc53e84eac867f59da63c4
https://doi.org/10.1021/acscatal.3c01146
https://doi.org/10.1021/acscatal.3c01146
Autor:
Konstantin Khivantsev, Nicholas R. Jaegers, Hristiyan A. Aleksandrov, Inhak Song, Xavier Isidro Pereira-Hernandez, Mark H. Engelhard, Jinshu Tian, Linxiao Chen, Debora Motta Meira, Libor Kovarik, Georgi N. Vayssilov, Yong Wang, János Szanyi
Publikováno v:
Journal of the American Chemical Society. 145:5029-5040
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::59d7b5966be2aa7d52e331e42ec58785
https://doi.org/10.1021/jacs.2c09873
https://doi.org/10.1021/jacs.2c09873
Autor:
Nikola L. Drenchev, Elena Z. Ivanova, Mihail Y. Mihaylov, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Konstantin I. Hadjiivanov
Publikováno v:
The Journal of Physical Chemistry Letters. 14:1564-1569
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::19e00b65d3306b9cf6c30dd58f771923
https://doi.org/10.1021/acs.jpclett.2c03294
https://doi.org/10.1021/acs.jpclett.2c03294
Autor:
Matthias Nuber, Lukas V. Spanier, Sebastian Roth, Georgi N. Vayssilov, Reinhard Kienberger, Peter Müller-Buschbaum, Hristo Iglev
Publikováno v:
The Journal of Physical Chemistry Letters. 13:10418-10423
Organic solar cells based on wide band gap polymers and nonfullerene small-molecule acceptors have demonstrated remarkably good device performances. Nevertheless, a thorough understanding of the charge-transfer process in these materials has not been
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::511a9fdb5e9883c12d67193943905b26
https://doi.org/10.1021/acs.jpclett.2c02864
https://doi.org/10.1021/acs.jpclett.2c02864
Autor:
Petko St. Petkov, Kristina Simeonova, Iskra Z. Koleva, Hristiyan A. Aleksandrov, Yoshihiro Kubota, Satoshi Inagaki, Valentin Valtchev, Georgi N. Vayssilov
Publikováno v:
Molecules, Vol 26, Iss 23, p 7296 (2021)
We used computational modeling, based on Density Functional Theory, to help understand the preference for the formation of silanol nests and the substitution of Si by Ti or Al in different crystallographic positions of the MSE-type framework. All the
Externí odkaz:
https://doaj.org/article/6cb4cee8e7ae43998c9ad6fe166479c2
Publikováno v:
ACS Omega. 7:23234-23244
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1e51005eab76c9ee584d48b3d696d976
https://doi.org/10.1021/acsomega.2c01327
https://doi.org/10.1021/acsomega.2c01327