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cond-mat.mtrl-sci2022★ 25 cited
Absorption Adsorption: High-Throughput Computation of Impurities in 2D Materials
Joel Davidsson, Fabian Bertoldo, Kristian S. Thygesen +1
Doping of a two-dimensional (2D) material by impurity atoms occurs \textit{via} two distinct mechanisms: absorption of the dopants by the 2D crystal or adsorption on its surface. T…
cond-mat.mtrl-sci2022
A Facile Strategy for the Growth of High-Quality Tungsten Disulfide Crystals Mediated by Oxygen-Deficient Oxide Precursors
Denys I. Miakota1, Raymond R. Unocic2, Fabian Bertoldo3 +5
Chemical vapor deposition (CVD) has been established as a versatile route for the large-scale synthesis of transition metal dichalcogenides, such as tungsten disulfide (WS2). Yet,…