Concepedia

Interfacial aspect of ZnTe/In<sub>2</sub>Te<sub>3</sub> heterostructures as an efficient catalyst for the hydrogen evolution reaction

Xiaoyong Yang, Amitava Banerjee, Zhitong Xu, Ziwei Wang, Rajeev Ahuja

Journal of Materials Chemistry A · 2019 · 51 citations · 54 references

DOI

Concepts

Abstract

Two-dimensional (2D) materials, group III<sub>2</sub>–VI<sub>3</sub> compounds have drawn intense attention due to its excellent surface properties.

References

54

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

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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

, , +17