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most citedMachine Learning in Materials Modeling -- Fundamentals and the Opportunities in 2D Materials

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physics.app-ph2020

Understanding the Strength of the Selenium -- Graphene Interfaces

Vidushi Sharma, David Mitlin, Dibakar Datta

We present a comprehensive first-principles Density Functional Theory (DFT) analyses of the interfacial strength and bonding mechanisms between crystalline and amorphous selenium(S…