Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Harkishan Dua"'
Publikováno v:
Frontiers in Chemistry, Vol 8 (2020)
A detailed density functional theory investigation of He2-encapsulated fullerene C36 and C40 has been presented here. When confinement takes place, He-He bond length shortens and a non-covalent type of interaction exists between two He atoms. Energy
Externí odkaz:
https://doaj.org/article/a678c44a11884b2aae8b8de088c73f7b
In this study, thirteen donors with the same spacer and acceptor have been tested to model dyes for dye sensitized solar cell (DSSC). Amongst the thirteen donors, 7,7,13,13-tetramethyl-8,9,12,13-tetrahydro-2H,5H,7H,11Hpyrano[2′,3′:4,5]pyrano[2,3-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3d36c146f94ed1510fac15eb1c2ad255
https://doi.org/10.21203/rs.3.rs-2520653/v1
https://doi.org/10.21203/rs.3.rs-2520653/v1
Autor:
James S.M. Anderson, Rodrigo Báez-Grez, Robert Balawender, Prasanta Bandyopadhyay, Yoshio Barrera, Carlos Cárdenas, Jyotirmoy Deb, Frank De Proft, Nidhi Deswal, Harkishan Dua, Jorge Garza, Paul Geerlings, Igor Barden Grillo, Wojciech Grochala, Aabid Hamid, Diego Inostroza, Savaş Kaya, Eugene S. Kryachko, Aleksey E. Kuznetsov, Bruno Landeros-Rivera, Juan Pablo Mojica-Sánchez, Samuel L.C. Moors, Roman F. Nalewajski, Sourav Pal, Debolina Paul, Ricardo Pino-Rios, Gerd Bruno Rocha, Ram Kinkar Roy, Jesús Sánchez-Márquez, Utpal Sarkar, Md. Motin Seikh, Thijs Stuyver, Paweł Szarek, William Tiznado, Gabriel Aires Urquiza-Carvalho, Ruben Van Lommel, Rubicelia Vargas, Margarita Viniegra, Alexander A. Voityuk, László von Szentpály, Sergei F. Vyboishchikov, Osvaldo Yañez
Publikováno v:
Chemical Reactivity ISBN: 9780323902595
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5418f9ce00984519f241640ebccc6ccd
https://doi.org/10.1016/b978-0-32-390259-5.00005-6
https://doi.org/10.1016/b978-0-32-390259-5.00005-6
Publikováno v:
Chemical Reactivity ISBN: 9780323902595
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3e392e06e46231857f9ed61a56f45a0
https://doi.org/10.1016/b978-0-32-390259-5.00022-6
https://doi.org/10.1016/b978-0-32-390259-5.00022-6
Publikováno v:
Chemical Physics. 571:111916
Publikováno v:
Energy Storage. 5
Publikováno v:
ACS Applied Nano Materials. 4:4912-4918
In this work, using density functional theory, a twin-graphene-based anode material is investigated for the use in rechargeable ion batteries with sodium as the intercalating ion. The pristine twin...
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(30)
A ‘twin-graphene’ bilayer-based nanoscale capacitor and nanoscale dielectric capacitor are designed using a density functional theory approach including van der Waals dispersion correction. A strong effect on electronic properties is observed for
Publikováno v:
DAE SOLID STATE PHYSICS SYMPOSIUM 2019.
Applying the concepts of density functional theory, we have predicted a new two dimensional material namely penta-BeS2 monolayer with a pentagonal structure similar to that of pentagraphene. The cohesive energy calculation suggests that this new 2D m