Concepedia

Thermal strain engineering in cobalt-coordinated Mo2N for efficient ampere-level current density alkaline fresh/seawater hydrogen evolution electrocatalysis

Yuwen Hu, Meilian Tu, Tuzhi Xiong, Yanxiang He, Muhammad Mushtaq, Hao Yang, Zeba Khanam, Yongchao Huang, Jianqiu Deng, Muhammad‐Sadeeq Balogun

Journal of Energy Chemistry · 2024 · 77 citations · 32 references

DOI

Concepts

References

32

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

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

, , +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

Improved grid‐based algorithm for Bader charge allocation

Edward Sanville, S.D. Kenny, Roger Smith et al. · Journal of Computational Chemistry · 2007 · 4.2K citations · Full text

, , +13