Zobrazeno 1 - 10
of 51
pro vyhledávání: '"Thaneshwor P. Kaloni"'
Publikováno v:
ACS Central Science, Vol 4, Iss 10, Pp 1436-1446 (2018)
Externí odkaz:
https://doaj.org/article/19506ebfe7884c7fa1625f1b0dee25f4
Autor:
Mohsen Modarresi, Wei Bin Kuang, Thaneshwor P. Kaloni, Mahmood Rezaee Roknabadi, Georg Schreckenbach
Publikováno v:
AIP Advances, Vol 6, Iss 9, Pp 095019-095019-10 (2016)
First-principles and semi-empirical tight binding calculations were performed to understand the adsorption of oxygen on the surface of two dimensional (2D) and zigzag stanene nano-ribbons. The intrinsic spin-orbit interaction is considered in the Kan
Externí odkaz:
https://doaj.org/article/de78e0236d074036bf99bb3d1350a915
Autor:
E. Torres, Thaneshwor P. Kaloni
Publikováno v:
Journal of Nuclear Materials. 521:137-145
The bulk properties of uranium dioxide (UO2) have been investigated using Hubbard corrected density functional theory (DFT + U) calculations. Monitoring of the occupation matrix for 5 f electrons of the uranium atoms is found to be crucial to avoid m
Publikováno v:
Chemistry of Materials. 29:10248-10283
The field of organic electronics has been heavily impacted by the discovery and development of π-conjugated conducting polymers. These polymers show great potential for integration into future optical and electronic devices due to their capacity to
Autor:
E. Torres, Thaneshwor P. Kaloni
Publikováno v:
Journal of Nuclear Materials. 553:153031
Elements in the actinide series are of great importance in nuclear science and technology. However, due to their high radiotoxicity, short half-life and high diversity in oxidation states, the investigation of actinide elements and their compounds ar
Autor:
Qi-Kun Xue, Brandon J. Miller, Stuart S. P. Parkin, Thaneshwor P. Kaloni, Shuai-Hua Ji, Kai Chang, Xi Chen, Salvador Barraza-Lopez
Publikováno v:
Physical Review B
SnTe hosts ferroelectricity that competes with its weak nontrivial band topology: in the high-symmetry rocksalt structure - in which its intrinsic electric dipole is quenched - this material develops metallic surface bands, but in its rhombic ground-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8f0450bed6372682bb08511b78ad6e4f
Publikováno v:
Transactions of the American Nuclear Society - Volume 121.
Publikováno v:
Annals of Nuclear Energy. 144:107511
A Hubbard corrected density functional theory (DFT + U) study of the electronic and thermal properties, of stoichiometric and hypostoichiometric phases, of uranium dioxide ( UO 2 ) is presented. Hypostoichiometric phases, with various concentrations