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Publikováno v:
In Materials Science in Semiconductor Processing 1 June 2022 143
Publikováno v:
In Materials Today Chemistry June 2021 20
Autor:
Lanzillo, Nicholas A., Nayak, Saroj K.
The structural, electronic and vibrational properties of atomic wires composed of the early alkali metals lithium and sodium are studied using density functional perturbation theory. The s-like electronic states near the Fermi level couple very weakl
Externí odkaz:
http://arxiv.org/abs/1408.3031
Autor:
Jiang, Xueping, Kharche, Neerav, Kohl, Paul, Boykin, Timothy B., Klimeck, Gerhard, Luisier, Mathieu, Ajayan, Pulickel M., Nayak, Saroj K.
Publikováno v:
Appl. Phys. Lett. 103 , 133107 (2013)
In general, there are two major factors affecting bandgaps in nanostructures: (i) the enhanced electron-electron interactions due to confinement and (ii) the modified self-energy of electrons due to the dielectric screening. While recent theoretical
Externí odkaz:
http://arxiv.org/abs/1309.3226
Autor:
Lanzillo, Nicholas, Birdwell, A. Glen, Amani, Matin, Crowne, Frank J., Shah, Pankaj B., Najmaei, Sina, Liu, Zheng, Ajayan, Pulickel M., Lou, Jun, Dubey, Madan, Nayak, Saroj K., O'Regan, Terrance P.
We present a combined experimental and computational study of two-dimensional molybdenum disulfde (MoS2) and the effect of temperature on the frequency shifts of the Raman-active E2g and A1g modes in the monolayer. While both peaks show an expected r
Externí odkaz:
http://arxiv.org/abs/1307.2447
Autor:
Simbeck, Adam J., Gu, Deyang, Kharche, Neerav, Satyam, Parlapalli Venkata, Avouris, Phaedon, Nayak, Saroj K.
Publikováno v:
Physical Review B 88, 035413 (2013)
The electronic and magnetic properties of varying width, oxygen-functionalized armchair graphene nanoribbons (AGNRs) are investigated using first-principles density functional theory (DFT). Our study shows that O-passivation results in a rich geometr
Externí odkaz:
http://arxiv.org/abs/1306.5467
Autor:
Rout, Chandra Sekhar, Mondal, Soumen, Samal, Rutuparna, Gangan, Abhijeet Sadashiv, Nayak, Saroj K., Chakraborty, Brahmananda
Publikováno v:
In Applied Surface Science 15 December 2019 497
Autor:
Kharche, Neerav, Nayak, Saroj K.
Graphene holds great promise for post-silicon electronics, however, it faces two main challenges: opening up a bandgap and finding a suitable substrate material. In principle, graphene on hexagonal boron nitride (hBN) substrate provides potential sys
Externí odkaz:
http://arxiv.org/abs/1110.5702
Publikováno v:
ACS Nano, 2011, 5 (8), pp 6096-6101
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals interactions. Mult
Externí odkaz:
http://arxiv.org/abs/1107.3239