List of works - Giannis Mpourmpakis

A multi scale theoretical study of Li+ interaction with carbon nanotubes

scientific article published on 01 December 2006

Assessing the density functional theory in the hydrogen storage problem

scientific article published on 01 June 2008

Atom-by-Atom Evolution of the Same Ligand-Protected Au21, Au22, Au22Cd1, and Au24 Nanocluster Series

scientific article published on 10 November 2020

Carbon nanoscrolls: a promising material for hydrogen storage

scientific article published on 20 June 2007

Computational Study of Methane Activation on γ-Al2O3

scientific article published on 26 December 2018

Correlating particle size and shape of supported Ru/gamma-Al2O3 catalysts with NH3 decomposition activity.

scientific article published in September 2009

DFT Study of Furfural Conversion to Furan, Furfuryl Alcohol, and 2-Methylfuran on Pd(111)

Description and Role of Bimetallic Prenucleation Species in the Formation of Small Nanoparticle Alloys

scientific article published on 15 December 2015

Design of highly selective ethanol dehydration nanocatalysts for ethylene production

scientific article published on 9 February 2018

Designing Cu-based Bimetallic Nanoparticles for CO2 Adsorption and Activation

scientific article published on 26 January 2018

Determination of proton affinities and acidity constants of sugars

scientific article published on 10 June 2013

Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes: a combined ab initio and Monte Carlo investigation

scientific article published on 01 April 2007

Effect of oxide supports in stabilizing desirable Pt-Ni bimetallic structures for hydrogenation and reforming reactions

scientific article published on 21 May 2013

Elucidating the optical spectra of [Au25(SR)18]q nanoclusters

scientific article published on 07 October 2019

Ene hydroperoxidation of isobutenylarenes within dye-exchanged zeolite Na-Y: control of site selectivity by cation-arene interactions

scientific article published in April 2003

From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite

scientific article published on 4 August 2016

Growth mechanisms of metal nanoparticles via first principles

scientific article published on 16 April 2009

Heterometal-Doped M23 (M = Au/Ag/Cd) Nanoclusters with Large Dipole Moments

scientific article published on 14 April 2020

Hydrogen storage in carbon nanotubes: a multi-scale theoretical study

Identification of descriptors for the CO interaction with metal nanoparticles.

scientific article published in March 2010

Informatics guided discovery of surface structure-chemistry relationships in catalytic nanoparticles.

scientific article

Insights into the early stages of metal nanoparticle formation via first-principle calculations: the roles of citrate and water

scientific article published on 13 June 2008

Ligand exchange on Au38(SR)24: substituent site effects of aromatic thiols

scientific article published on 23 April 2020

Magnetic enhancement and magnetic reduction in binary clusters of transition metal atoms.

scientific article published in June 2004

Mechanistic Studies on the Michael Addition of Amines and Hydrazines To Nitrostyrenes: Nitroalkane Elimination via a Retro-aza-Henry-Type Process.

scientific article published on 22 December 2017

Molecular "surgery" on a 23-gold-atom nanoparticle

scientific article published on 19 May 2017

Molecular modifiers reveal a mechanism of pathological crystal growth inhibition

scientific article (publication date: 8 August 2016)

Multiscale modeling reveals poisoning mechanisms of MgO-supported Au clusters in CO oxidation

scientific article published on 08 June 2012

Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping.

scientific article published on 28 November 2017

Rethinking Heterometal Doping in Ligand-Protected Metal Nanoclusters

scientific article published on 15 November 2018

SiC Nanotubes: A Novel Material for Hydrogen Storage

Size-, Shape-, and Composition-Dependent Model for Metal Nanoparticle Stability Prediction

scientific article published on 26 March 2018

Solvent manipulation of the pre-reduction metal-ligand complex and particle-ligand binding for controlled synthesis of Pd nanoparticles

scientific article published on 16 December 2020

Surface conductivity of hydrogenated diamond films

scientific article published on 10 March 2008

Symmetry-Switching Molecular Fe(O2)n+ Clusters ⬇️

scientific article published on June 8, 2011

Towards elucidating structure of ligand-protected nanoclusters

scientific article published on 01 July 2020

Unfolding adsorption on metal nanoparticles: Connecting stability with catalysis

scientific article published on 13 September 2019

What controls au nanoparticle dispersity during growth?

scientific article published on September 2010

Why alkali metals preferably bind on structural defects of carbon nanotubes: a theoretical study by first principles

scientific article published on 01 November 2006

List of works by Giannis Mpourmpakis