Concepedia

Electronic and optical properties of 2D monolayer (ML) MoS2 with vacancy defect at S sites

Tuan V. Vu, A. Laref, Madhav Prasad Ghimire, P. K. Patra, Sunita Srivastava

Nano-Structures & Nano-Objects · 2019 · 34 citations · 48 references

DOI

Concepts

References

48

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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Single-layer MoS2 transistors

Branimir Radisavljevic, Jacopo Brivio, Valentina Giacometti et al. · Nature Nanotechnology · 2011 · 14.8K citations · Full text

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier et al. · APL Materials · 2013 · 12.7K citations · Full text

, , +17

The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation

José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

, , +17

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson · Computational Materials Science · 2005 · 10.4K citations

, , +6