Single metal-doped silicon (Si59X; X= Nb, Mo, Y, Zr) nanostructured as nanosensors for N-Nitrosodimethylamine (NDMA) pollutant: Intuition from computational study
EC Agwamba, GE Mathias, H Louis… - Materials Today …, 2023 - Elsevier
The present work examines the efficacy of metal-doped silicon (Si 59 X; X= Nb, Mo, Y, Zr)
nanocages as an efficient nanosensors for N-Nitrosodimethylamine (NDMA). A suitable …
nanocages as an efficient nanosensors for N-Nitrosodimethylamine (NDMA). A suitable …
First principle studies on triphenylene-hexathiol-based metal-organic framework for hydrogen storage application
VM Vasanthakannan, M Pavithrakumar… - Journal of Energy …, 2024 - Elsevier
We have studied the hydrogen storage capability of the recently synthesized triphenylene-
hexathiol based metal-organic framework (MOF) with Fe and Cu metal atoms by using …
hexathiol based metal-organic framework (MOF) with Fe and Cu metal atoms by using …
Hydrogen storage property of the Sc decorated aza-triphenylene based covalent organic framework
VM Vasanthakannan, K Senthilkumar - Journal of Power Sources, 2024 - Elsevier
In the present work, we study Sc atoms decorated aza-triphenylene based covalent organic
framework (ScCOF) for hydrogen storage application by using the electronic structure …
framework (ScCOF) for hydrogen storage application by using the electronic structure …
DFT benchmarking for adsorption energy in wastewater treatment
A Malloum, J Conradie - Molecular Physics, 2023 - Taylor & Francis
Despite its potential importance, the computational chemistry of adsorption processes for
wastewater treatment has received negligible attention. Exploring the literature shows …
wastewater treatment has received negligible attention. Exploring the literature shows …