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Hazardous (NO2, NO, CO, CO2, SO2, and NH3) molecules interacting with Pt-decorated <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si71.svg" display="inline" id="d1e1070"><mml:msub><mml:mrow><mml:mi>β</mml:mi></mml:mrow><mml:mrow><mml:mn>12</mml:mn></mml:mrow></mml:msub></mml:math> borophene. A first-principle study

Jonas Anversa, R. J. Baierle, Caroline Jaskulski Rupp

2023Surface Science12 citationsDOI

Topics & Concepts

BoropheneWork functionAdsorptionDensity functional theoryNanosheetvan der Waals forceFermi levelDensity of statesMoleculeAtom (system on chip)Binding energyChemical physicsCharge densityPlatinumMaterials scienceChemistryFermi energyPhysical chemistryComputational chemistryCatalysisNanotechnologyAtomic physicsElectronPhysicsCondensed matter physicsOrganic chemistryEmbedded systemComputer scienceElectrodeQuantum mechanicsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsGraphene research and applications
Hazardous (NO2, NO, CO, CO2, SO2, and NH3) molecules interacting with Pt-decorated <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si71.svg" display="inline" id="d1e1070"><mml:msub><mml:mrow><mml:mi>β</mml:mi></mml:mrow><mml:mrow><mml:mn>12</mml:mn></mml:mrow></mml:msub></mml:math> borophene. A first-principle study | Litcius