Inducing wetting morphologies and increased reactivities of small Au clusters on doped oxide supports

Trends in Adhesion Energies of Gold on MgO(100), Rutile TiO2(110), and CeO2(111) Surfaces: A Comparative DFT Study

(2017) Sergio Tosoni et al.   Journal of Physical Chemistry C

Can Support Acidity Predict Sub-Nanometer Catalyst Activity Trends?

(2017) Andrew S. Crampton et al.   ACS Catalysis

Gold assisted oxygen dissociation on a molybdenum-doped CaO(001) surface

(2016) Janne Nevalaita et al.   Catalysis Science & Technology

Substrate doping: A strategy for enhancing reactivity on gold nanocatalysts by tuning sp bands

(2015) Nisha Mammen et al.   JOURNAL OF CHEMICAL PHYSICS

Silicene: A Promising Surface to Achieve Morphological Transformation in Gold Clusters

(2015) Krishnakanta Mondal et al.   Journal of Physical Chemistry C

Anisotropic Gold Nanoparticles: Synthesis, Properties, Applications, and Toxicity

(2014) Na Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nitrogen-Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au20 over Its Tetrahedral Conformer: A Systematic DFT Study

(2014) Sharma SRKC Yamijala et al.   Journal of Physical Chemistry C

Charging of Gold Atoms on Doped MgO and CaO: Identifying the Key Parameters by DFT Calculations

(2013) Stefano Prada et al.   Journal of Physical Chemistry C

The Redox Chemistry of Gold with High-Valence Doped Calcium Oxide

(2012) Jenni Andersin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Donor Characteristics of Transition-Metal-Doped Oxides: Cr-Doped MgO versus Mo-Doped CaO

(2012) Fernando Stavale et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

AuNclusters (N=1--6)supported on MgO(100) surfaces: Effect of exact exchange and dispersion interactions on adhesion energies

(2012) Lauro Oliver Paz-Borbón et al.   PHYSICAL REVIEW B

Tailoring the Shape of Metal Ad-Particles by Doping the Oxide Support

(2011) Xiang Shao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

First principles multiplet calculations of the calcium L2, 3x-ray absorption spectra of CaO and CaF2

(2011) P S Miedema et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Tuning the Morphology of Gold Clusters by Substrate Doping

(2011) Nisha Mammen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structures of small Au clusters on MgO(001) studied by density-functional calculations

(2011) R. Ferrando et al.   PHYSICAL REVIEW B

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Control and Manipulation of Gold Nanocatalysis: Effects of Metal Oxide Support Thickness and Composition

(2009) Chris Harding et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Au Dimers on Thin MgO(001) Films: Flat and Charged or Upright and Neutral?

(2008) V. Simic-Milosevic et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Charge-induced formation of linear Au clusters on thin MgO films: Scanning tunneling microscopy and density-functional theory study

(2008) Violeta Simic-Milosevic et al.   PHYSICAL REVIEW B

Electric Field Control of Structure, Dimensionality, and Reactivity of Gold Nanoclusters on Metal-Supported MgO Films

(2008) Bokwon Yoon et al.   PHYSICAL REVIEW LETTERS

Structures of Neutral Au7, Au19, and Au20 Clusters in the Gas Phase

(2008) P. Gruene et al.   SCIENCE