Detection of cadaverine and putrescine on (10,0) carbon, boron nitride and gallium nitride nanotubes: a density functional theory study
- 4 October 2022
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in New Journal of Chemistry
- Vol. 46 (43) , 20729-20736
Abstract
This work presents a theoretical study of the interaction between carbon nanotubes (CNT), boron nitride nanotubes and gallium nitride nanotubes with pollutant diamines cadaverine and putrescine using density functional theory (DFT) implemented using SIESTA.Keywords
Funding Information
- Conselho Nacional de Desenvolvimento Científico e Tecnológico
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
- Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do Maranhão
This publication has 50 references indexed in Scilit:
- Burial grounds’ impact on groundwater and public health: an overviewWater and Environment Journal, 2012
- Impact of cemeteries on groundwater chemistry: A reviewCATENA, 2012
- Determination of amino acids and amines in mammalian decomposition fluid by direct injection liquid chromatography-electrospray ionisation-tandem mass spectrometryAnalytical Methods, 2011
- Single-crystal gallium nitride nanotubesNature, 2003
- Chemical control of nanotube electronicsNanotechnology, 2000
- Nanotube Molecular Wires as Chemical SensorsScience, 2000
- Self-consistent order-density-functional calculations for very large systemsPhysical Review B, 1996
- Theory of graphitic boron nitride nanotubesPhysical Review B, 1994
- Efficient pseudopotentials for plane-wave calculationsPhysical Review B, 1991
- Special points for Brillouin-zone integrationsPhysical Review B, 1976