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Ish: A Comparative DFT Study of the Adsorption of SF6 Decomposition Gas Species (SO2, SO2F2, and SOF4) on Si- and Al-Modified MoSTe Nanosheets: Application to Gas Sensors
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof
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Hendrik J. Monkhorst, J.D. Pack
Maqola197675 iqtibosABISelf-Consistent Equations Including Exchange and Correlation Effects
MaqolaOchiq kirish196559 iqtibosABIThe SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale +4
MaqolaOchiq kirish200220 iqtibosABIAdsorption of SF6 decomposition gases on Ag2O(1,2)-WSe2 monolayers: A DFT study
Kaixing Li, Tianyan Jiang, Hongli Tian +3
Maqola20226 iqtibosABIA first-principles insight into Pd-doped MoSe2 monolayer: A toxic gas scavenger
Shouxiao Ma, SU Liancun, Jin Li +2
Maqola20193 iqtibosABIRh-doped MoTe2 Monolayer as a Promising Candidate for Sensing and Scavenging SF6 Decomposed Species: a DFT Study
Hongliang Zhu, Hao Cui, Dan He +2
MaqolaOchiq kirish20202 iqtibosABI