Concepedia

Thermal radiative catalysis: Selective dehydrogenation of ethane to ethylene by vibrationally excited carbon dioxide

Xue Ding, Zeshu Zhang, Junchuan Sun, Joel Y. Y. Loh, Dongxu Ji, Jinghui Lu, Chengyuan Liu, Long Zhao, Wenxuan Liu, Junhua Zhao,

Joule · 2023 · 23 citations · 25 references

DOIFull text

Open access

Concepts

References

25

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

Hydrophobic zeolite modification for in situ peroxide formation in methane oxidation to methanol

Zhu Jin, Liang Wang, Erik Zuidema et al. · Science · 2020 · 792 citations · Full text

, , +17

Comprehensive Benchmarking of a Density-Dependent Dispersion Correction

Stephan N. Steinmann, Clémence Corminbœuf · Journal of Chemical Theory and Computation · 2011 · 481 citations · Full text

, , +17