On the Effects of Doping on the Catalytic Performance of (La,Sr)CoO3. A DFT Study of CO Oxidation

Catalytic Mechanisms of NO Reduction in a CO–NO Atmosphere at Co- and Cu-Doped SrTiO3(100) Surfaces

(2017) Silvia Carlotto et al.   Journal of Physical Chemistry C

Largely Cu-doped LaCo 1−x Cu x O 3 perovskites for TWC: Toward new PGM-free catalysts

(2016) A. Glisenti et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Energetics of CO oxidation on lanthanide-free perovskite systems: the case of Co-doped SrTiO3

(2016) Silvia Carlotto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT Analysis of NO Oxidation Intermediates on Undoped and Doped LaCoO3 Perovskite

(2015) Michael W. Penninger et al.   Journal of Physical Chemistry C

Co- and Cu-Doped Titanates: Toward a New Generation of Catalytic Converters

(2014) A. Glisenti et al.   CATALYSIS LETTERS

Catalysis by Doped Oxides

(2013) Eric W. McFarland et al.   CHEMICAL REVIEWS

Pseudopotentials for high-throughput DFT calculations

(2013) Kevin F. Garrity et al.   COMPUTATIONAL MATERIALS SCIENCE

Phase competition in (La1 − c,Src)CoO3solid solutions:ab initiothermodynamic study

(2013) David Fuks et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Experimental and Computational Investigation of Effect of Sr on NO Oxidation and Oxygen Exchange for La1–xSrxCoO3 Perovskite Catalysts

(2013) Sang Ok Choi et al.   ACS Catalysis

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

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