Comparison of adsorption capacity of water and hydroxide with collector reagents on geversite (PtSb2) mineral surface: A DFT-D insights
Authors:
- Samuel S. MangwejaneSMSamuel S. Mangwejane
- Peace P. MkhontoPMPeace P. Mkhonto
- Phuti E. NgoepePNPhuti E. Ngoepe
- 9 April 2023
- journal article
- research article
- Published by Elsevier in Computational Materials Science
- Vol. 224
Abstract
No abstract availableKeywords
This publication has 26 references indexed in Scilit:
- Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference DataPhysical Review Letters, 2009
- Surface simulation studies of the hydration of white rust Fe(OH)2, goethite α-FeO(OH) and hematite α-Fe2O3Geochimica et Cosmochimica Acta, 2007
- Density-functional theory studies of pyrite FeS2() and () surfacesSurface Science, 2002
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Periodic boundary conditions inab initiocalculationsPhysical Review B, 1995
- Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)Physical Review B, 1992
- The stability of ionic crystal surfacesJournal of Physics C: Solid State Physics, 1979
- Special points for Brillouin-zone integrationsPhysical Review B, 1976
- Semiconducting Properties of PtPhysical Review B, 1965
- Band Structure of Platinum AntimonidePhysical Review B, 1965