Concepedia

Computational Study of Janus Transition Metal Dichalcogenide Monolayers for Acetone Gas Sensing

Chen‐Hao Yeh

ACS Omega · 2020 · 89 citations · 55 references

DOIFull text

Open access

Concepts

Abstract

monolayer. Finally, our finding indicates that Janus MoSSe and Janus MoSTe monolayers can be proposed as ultrahigh-sensitivity 2D TMD materials for acetone sensors.

References

55

Generalized Gradient Approximation Made Simple

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

, , +16

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14