Transition-metal decorated graphdiyne monolayer as an efficient sensor toward phosphide (PH<sub>3</sub>) and arsine (AsH<sub>3</sub>)
Sirisak Singsen, Niphat Thasami, Parinya Tangpakonsab, Hyeonhu Bae, Hoonkyung Lee, Tanveer Hussain, Thanayut Kaewmaraya
Abstract
, ranging from -0.80 to -1.80 eV), which are basically rooted in the prominent orbital overlap among Fe-3d and As(P)-4p states. This study has raised the need to design efficient nanosensors using GDY-based materials.
Topics & Concepts
ArsinePhosphideTransition metalMonolayerDensity functional theoryMaterials scienceNanotechnologySelectivityNanosensorMetalChemistryComputational chemistryMetallurgyOrganic chemistryCatalysisPhosphineElectrocatalysts for Energy ConversionGraphene research and applicationsMolecular Junctions and Nanostructures