The future of polyoxymetalates for biological and chemical apllications
MJW Budych, K Staszak, A Bajek, F Pniewski… - Coordination Chemistry …, 2023 - Elsevier
This paper reports the most interesting applications of polyoxometalates (POMs) over the
last five years, highlighting the relationship between their complex nature, properties, and …
last five years, highlighting the relationship between their complex nature, properties, and …
[HTML][HTML] Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction
The utilization of nanostructured materials as efficient catalyst for several processes has
increased tremendously, and carbon-based nanostructured materials encompassing …
increased tremendously, and carbon-based nanostructured materials encompassing …
Transition metal (X = Mn, Fe, Co, Ni, Cu, Zn)-doped graphene as gas sensor for CO2 and NO2 detection: a molecular modeling framework by DFT perspective
F Mollaamin, M Monajjemi - Journal of Molecular Modeling, 2023 - Springer
Context In this research, CO2 and NO2 adsorption on doped nanographene (NG) sheets
with transition metals (Fe, Ni, Zn) and (Mn, Co, Cu), respectively, have been applied for …
with transition metals (Fe, Ni, Zn) and (Mn, Co, Cu), respectively, have been applied for …
[HTML][HTML] Modeling of magnesium-decorated graphene quantum dot nanostructure for trapping AsH 3, PH 3 and NH 3 gases
EC Agwamba, H Louis, PO Olagoke, TE Gber… - RSC …, 2023 - pubs.rsc.org
A magnesium-decorated graphene quantum dot (C24H12-Mg) surface has been examined
theoretically using density functional theory (DFT) computations at the ωB97XD/6-311++ G …
theoretically using density functional theory (DFT) computations at the ωB97XD/6-311++ G …
Hydrogen storage capacity of Al, Ca, Mg, Ni, and Zn decorated phosphorus-doped graphene: Insight from theoretical calculations
IJ Ikot, PO Olagoke, H Louis, DE Charlie… - International Journal of …, 2023 - Elsevier
In this work, adsorption of molecular hydrogen on five different metals: Aluminum, Calcium,
Magnesium, Nickel and Zinc decorated phosphorus-doped graphene have been …
Magnesium, Nickel and Zinc decorated phosphorus-doped graphene have been …
Molecular simulation of Cu, Ag, and Au-decorated Si-doped graphene quantum dots (Si@ QD) nanostructured as sensors for SO2 trapping
H Louis, K Chukwuemeka, EC Agwamba… - Journal of Molecular …, 2023 - Elsevier
In view of the numerous environmental hazards and health challenges linked to sulfur (iv)
oxide (SO 2), an indirect greenhouse gas, and the resultant need to develop efficient gas …
oxide (SO 2), an indirect greenhouse gas, and the resultant need to develop efficient gas …
Comparative study of the efficiency of silicon carbide, boron nitride and carbon nanotube to deliver cancerous drug, azacitidine: A DFT study
N Baildya, S Mazumdar, NK Mridha… - Computers in Biology …, 2023 - Elsevier
Herein we have made a comparative study of the efficiency of three different nanotubes viz.
Carbon nanotube (CNT), boron nitride nanotube (BNNT) and silicon carbide nanotube …
Carbon nanotube (CNT), boron nitride nanotube (BNNT) and silicon carbide nanotube …
Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and …
The electron-spin duality and propagation of the active sites of free electrons are of interest
for adsorbing the guests and fixing them with strong hydrogen bonds (HB). The coherence of …
for adsorbing the guests and fixing them with strong hydrogen bonds (HB). The coherence of …
Gas-Phase Interaction of CO, CO2, H2S, NH3, NO, NO2, and SO2 with Zn12O12 and Zn24 Atomic Clusters
M Doust Mohammadi, H Louis, UG Chukwu… - ACS …, 2023 - ACS Publications
Atmospheric pollutants pose a high risk to human health, and therefore it is necessary to
capture and preferably remove them from ambient air. In this work, we investigate the …
capture and preferably remove them from ambient air. In this work, we investigate the …
Toward Site-Specific Interactions of nH2 (n = 1–4) with Ga12As12 Nanostructured for Hydrogen Storage Applications
UG Chuwkwu, H Louis, HO Edet, TO Unimuke… - Energy & …, 2023 - ACS Publications
While hydrogen combustion generates a lot of energy and can be done in a variety of ways,
the primary challenge in utilizing hydrogen energy is obtaining an efficient hydrogen storage …
the primary challenge in utilizing hydrogen energy is obtaining an efficient hydrogen storage …