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6 papers · 2 filters
Phosphorene Oxide: Stability and electronic properties of a novel 2D material
Gaoxue Wang, Ravindra Pandey, Shashi P. Karna
Phosphorene, the monolayer form of the (black) phosphorus, was recently exfoliated from its bulk counterpart. Phosphorene oxide, by analogy to graphene oxide, is expected to have n…
Band Structure Mapping of Bilayer Graphene via Quasiparticle Scattering
Matthew Yankowitz, Joel I-Jan Wang, Suchun Li +7
A perpendicular electric field breaks the layer symmetry of Bernal-stacked bilayer graphene, resulting in the opening of a band gap and a modification of the effective mass of the…
Binding of HeV Clusters to -Fe Grain Boundaries
M. A. Tschopp, F. Gao, K. N. Solanki
The objective of this research is to explore the formation/binding energetics and length scales associated with the interaction between HeV clusters and grain boundaries in bcc…
A combined theoretical and experimental study of the influence of different anion ratios on lithium ion dynamics in ionic liquids
Volker Lesch, Sebastian Jeremias, Arianna Moretti +3
In this paper we have investigated via experimental and simulations techniques the transport properties, in terms of total ionic conductivity and ion diffusion coefficients, of ion…
Electric Field Control of Soliton Motion and Stacking in Trilayer Graphene
Matthew Yankowitz, Joel I-Jan Wang, A. Glen Birdwell +7
The crystal structure of a material plays an important role in determining its electronic properties. Changing from one crystal structure to another involves a phase transition whi…
Atomic-scale analysis of liquid-gallium embrittlement of aluminum grain boundaries
M. Rajagopalan, M. A. Bhatia, K. N. Solanki +2
In this work, we explore the role of atomistic-scale energetics on liquid-metal embrittlement of Al due to Ga. Ab initio and molecular mechanics were employed to probe the binding…