[HTML][HTML] Nanophysics Is Boosting Nanotechnology for Clean Renewable Energy

RFM Lobo, CAC Sequeira - Materials, 2024 - mdpi.com
As nanophysics constitutes the scientific core of nanotechnology, it has a decisive potential
for advancing clean renewable energy applications. Starting with a brief foray into the …

External electric field as a catalyst for ammonia formation via reaction of N and N-heterocyclic carbene

P Yadav, P Kumar - Journal of Chemical Sciences, 2023 - Springer
Based on quantum chemical calculations, we have investigated an external electric field
(EEF) as a potential catalyst for ammonia formation from the reaction of N 2 with 3, 5-di-tert …

How an electric field makes endohedral fullerene an improved catalyst for hydrogen evolution reaction

P Yadav, PK Rai, P Kumar - Computational and Theoretical Chemistry, 2023 - Elsevier
The present work investigates the effect of external electric field (EEF) in enhancing the
catalytic properties of endohedral fullerenes (Sc 3 N@ C 80 and Sc 3 N@ C 68) for …

Gradient Bundle Analysis of Electric Field Induced Changes in Electron Charge Density

L Epperson, M Mascarenas… - The Journal of Physical …, 2023 - ACS Publications
Applying an electric field (EF) to a molecule is known to induce rearrangement of its electron
charge density, ρ (r). Previous experimental and computational studies have investigated …

External electric field, a potential catalyst for C–N cross-coupling reaction

P Yadav, P Kumar - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
The present work investigates the role of the external electric field (EEF) in boosting the C–N
cross-coupling reaction between 2-chlorobenzoic acid and propylamine, by computing the …

[BOOK][B] Gradient Bundle Analysis of Charge Density Rearrangement in Small Molecules Due to Electric Fields

L Epperson - 2023 - search.proquest.com
The role of an electric field (EF) in a chemical reaction has attracted immense recent interest.
Aside from the EFs intrinsic to a system, experimental and computational studies have …