Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Vasudeo Pandurang Babar"'
Autor:
Husam N. Alshareef, Khaled N. Salama, Wenzhe Guo, Fangwang Ming, Sitansh Sharma, Sandeep G. Surya, Vasudeo Pandurang Babar, Udo Schwingenschlögl
Publikováno v:
ACS Applied Materials & Interfaces. 12:57218-57227
MXenes are a promising class of two-dimensional materials with several potential applications, including energy storage, catalysis, electromagnetic interference shielding, transparent electronics, and sensors. Here, we report a novel Mo2CTx MXene sen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e29c73e234dfa9160b5b82a2a6dd4071
https://doi.org/10.1021/acsami.0c16302
https://doi.org/10.1021/acsami.0c16302
Publikováno v:
The Journal of Physical Chemistry C. 124:5853-5860
The application potential of pristine and monovacant C6BN for sensing gaseous pollutants (CO, CO2, NO, NO2, NH3, H2S, and SO2) is investigated using density functional theory with van der Waals dis...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f4dcb0aea0624bee49932d411322188
https://doi.org/10.1021/acs.jpcc.9b10553
https://doi.org/10.1021/acs.jpcc.9b10553
Publikováno v:
Nanoscale. 12:10172-10179
The origami technique can provide inspiration for fabrication of novel three-dimensional (3D) structures with unique material properties from two-dimensional sheets. In particular, transformation of graphene sheets into complex 3D graphene structures
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1de246979e877f46fd4a0560c90d275
https://doi.org/10.1039/d0nr01733g
https://doi.org/10.1039/d0nr01733g
Publikováno v:
The Journal of Physical Chemistry C. 123:13104-13109
The adsorption behavior and electronic transport properties of CO and NH3 molecules on para-C3Si and meta-C3Si monolayers are studied using first-principles calculations and the non-equilibrium Gre...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d29ad9d529c7a36ec72fd5d20c1753b9
https://doi.org/10.1021/acs.jpcc.9b01313
https://doi.org/10.1021/acs.jpcc.9b01313
Autor:
Chieh-Szu Huang, Altynbek Murat, Vasudeo Pandurang Babar, Enrique Montes, Udo Schwingenschlögl
Publikováno v:
The Journal of Physical Chemistry C. 122:14665-14670
Two-dimensional materials can be utilized to detect gas molecules in low concentration due to their high surface-to-volume ratios. In this respect, we investigate in the present work recently fabricated borophene, two-dimensional B, which has buckled
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::816727c2ee6600b7a7386bf9e3c84cef
https://doi.org/10.1021/acs.jpcc.8b03811
https://doi.org/10.1021/acs.jpcc.8b03811
Publikováno v:
Journal of Materials Chemistry A. 5:20407-20411
Using density functional theory and the Boltzmann transport equation for phonons, we demonstrate that the thermal conductivity is massively reduced in monolayer C3N as compared to isostructural graphene. We show that larger phase space for three-phon
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d610a4dca88da65a20342de5ef00679c
https://doi.org/10.1039/c7ta05872a
https://doi.org/10.1039/c7ta05872a
Publikováno v:
Journal of Physics: Condensed Matter. 32:355602
Using density functional theory, we investigate the adsorption behavior of CO, NH3, and NO molecules on monolayer Si2BN. The energetically favorable structural configurations along with their adsorption energies, charge transfers, and electronic prop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::573ab83d74e2e8ed08ec41458703f8cf
https://doi.org/10.1088/1361-648x/ab8d72
https://doi.org/10.1088/1361-648x/ab8d72
Publikováno v:
Advanced Theory and Simulations. 1:1700008
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::44bca2469d921a5319eb2d468d6af386
https://doi.org/10.1002/adts.201700008
https://doi.org/10.1002/adts.201700008