Drupal-Biblio17<style face="normal" font="default" size="100%">Molecular and dissociative adsorption of oxygen on au-pd bimetallic clusters: role of composition and spin state of the cluster</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Surface functionalization: an efficient alternative for promoting the catalytic activity of closed shell gold clusters</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Electrocatalytic nitrogen reduction directed through the p-band center of boron on BSAC@Mo2C</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Exploring the structure and electronic properties of germanium doped boron clusters using density functional theory based global optimization method</style>Drupal-Biblio17<style face="normal" font="default" size="100%">First-principles investigation of the electrocatalytic reduction of CO2 on zirconium-based single-, double-, and triple-atom catalysts anchored on a graphitic carbon nitride monolayer</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Probing the site-specific reactivity and catalytic activity of Ag-n (n=15-20) silver clusters</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Tantalum based single, double, and triple atom catalysts supported on g-C2N monolayer for effective nitrogen reduction reaction: a comparative DFT investigation</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Computational identification of most potent atom pair catalysts for electrocatalytic nitrogen reduction reaction over hydrogen evolution reaction</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Size and morphology dependent activity of Cu clusters for CO2 activation and reduction: a first principles investigation</style>Drupal-Biblio17<style face="normal" font="default" size="100%">Boosting the CO2 reduction activity of Cu double-atom catalysts through coordination environment engineering</style>