929 citations · 3.7k across the 12 of their papers we have counts for
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Van der Waals metal-semiconductor junction: weak Fermi level pinning enables effective tuning of Schottky barrier
Yuanyue Liu, Paul Stradins, Su-Huai Wei
Two-dimensional (2D) semiconductors have shown great promise in (opto)electronic applications. However, their developments are limited by a large Schottky barrier (SB) at the metal…
Assessing carbon-based anodes for lithium-ion batteries: A universal description of charge-transfer binding
Yuanyue Liu, Y. Morris Wang, Boris I. Yakobson +1
Many key performance characteristics of carbon-based lithium-ion battery anodes are largely determined by the strength of binding between lithium (Li) and sp2 carbon (C), which can…
Probing the Synthesis of Two-Dimensional Boron by First-Principles Computations
Yuanyue Liu, Evgeni S. Penev, Boris I. Yakobson
Boron synthesis, in theory: Although two-dimensional boron sheets have attracted considerable interest because of their theoretically predicted properties, synthesis of such sheets…
Graphene edge from A to Z - and the origins of nanotube chirality
Yuanyue Liu, Alex Dobrinsky, Boris I. Yakobson
The energy of arbitrary graphene edge is derived in analytical form. It contains a "chemical phase shift", determined by the chemical conditions at the edge. Direct atomistic compu…