240 citations · 712 across the 12 of their papers we have counts for
12 papers
First-Principles Approach for Energy Level Alignment at Aqueous Semiconductor Interfaces
Neerav Kharche, James T. Muckerman, Mark S. Hybertsen
A first-principles approach is demonstrated to calculate the relationship between aqueous semiconductor interface structure and energy level alignment. The physical interface struc…
Giant Quasiparticle Bandgap Modulation in Graphene Nanoribbons Supported on Weakly Interacting Surfaces
Xueping Jiang, Neerav Kharche, Paul Kohl +5
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 o…
Electronic structure of oxygen-functionalized armchair graphene nanoribbons
Adam J. Simbeck, Deyang Gu, Neerav Kharche +3
The electronic and magnetic properties of varying width, oxygen-functionalized armchair graphene nanoribbons (AGNRs) are investigated using first-principles density functional theo…
Quasiparticle bandgap engineering of graphene and graphone on hexagonal boron nitride substrate
Neerav Kharche, Saroj K. Nayak
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, grap…
Effects of Interface Disorder on Valley Splitting in SiGe/Si/SiGe Quantum Wells
Zhengping Jiang, Neerav Kharche, Timothy Boykin +1
A sharp potential barrier at the Si/SiGe interface introduces valley splitting (VS), which lifts the 2-fold valley degeneracy in strained SiGe/Si/SiGe quantum wells (QWs). This wor…
Effect of Layer-Stacking on the Electronic Structure of Graphene Nanoribbons
Neerav Kharche, Yu Zhou, Kevin P. O'Brien +2
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 functio…