R
Rajendra R. Zope
Researcher at University of Texas at El Paso
Publications - 128
Citations - 2737
Rajendra R. Zope is an academic researcher from University of Texas at El Paso. The author has contributed to research in topics: Density functional theory & Dipole. The author has an hindex of 26, co-authored 120 publications receiving 2319 citations. Previous affiliations of Rajendra R. Zope include United States Naval Research Laboratory & George Washington University.
Papers
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Interatomic potentials for atomistic simulations of the Ti-Al system
Rajendra R. Zope,Yuri Mishin +1 more
TL;DR: Semiempirical interatomic potentials have been developed for Al, T, and Ti within the embedded atom method (EAM) formalism by fitting to a large database of experimental as well as ab initio data as mentioned in this paper.
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Palladium Clusters Supported on Graphene Monovacancies for Hydrogen Storage
TL;DR: In this article, the atomic structure and the energetics of H2 adsorption on Pdn (n = 1-4) clusters supported on graphene monovacancies were described.
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Snub boron nanostructures: Chiral fullerenes, nanotubes and planar sheet
Rajendra R. Zope,Tunna Baruah +1 more
TL;DR: In this paper, a new class of electronically stable boron nanostructures, viz., 60 n 2 Boron fullerene family, boroni nanotubes, and a planar B 60 BORON sheet, was proposed.
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Boron fullerenes: From B 80 to hole doped boron sheets
TL;DR: In this article, the existence of stable boron sheets composed of triangular and hexagonal motifs has been shown and all electron density-functional calculations on the $60{n}^{2}$ carbon icosahedral fullerene series were conducted.
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Ti4- and Ni4-Doped Defective Graphene Nanoplatelets as Efficient Materials for Hydrogen Storage
C. M. Ramos-Castillo,J. U. Reveles,J. U. Reveles,M. E. Cifuentes-Quintal,Rajendra R. Zope,R. de Coss +5 more
TL;DR: In this paper, the structural and electronic properties of titanium-and nickel-doped defective graphene nanoplatelets have been investigated for hydrogen storage, and it was shown that H2 bond cleavage is favored by defective graphene nanlatelets because of the strong interaction between the hydrogen 1s and titanium 3d levels that leads to the formation of metal hydrides.