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cond-mat.mtrl-sci2019
Defining shapes of 2D-crystals with undefinable edge-energies
Luqing Wang, Sharmila N. Shirodkar, Zhuhua Zhang +1
The equilibrium shape of crystals is a fundamental property of both aesthetic appeal and practical import. It is also a visible macro-manifestation of the underlying atomic-scale f…
cond-mat.mtrl-sci2015
Engineering the electronic bandgaps and band edge positions in carbon-substituted 2D boron nitride: a first-principles investigation
Sharmila N. Shirodkar, Umesh V. Waghmare, Timothy S. Fisher +1
Modification of graphene to open a robust gap in its electronic spectrum is essential for its use in field effect transistors and photochemistry applications. Inspired by recent ex…