The reaction mechanism for the SCR process on monomer V5+ sites and the effect of modified Brønsted acidity

The Power of Single-Atom Catalysis

(2015) Suxia Liang et al.   ChemCatChem

Computational Study of Structure and Reactivity of Oligomeric Vanadia Clusters Supported on Anatase and Rutile TiO2 Surfaces

(2015) Hui Fu et al.   Journal of Physical Chemistry C

Coexistence of Square Pyramidal Structures of Oxo Vanadium (+5) and (+4) Species Over Low-Coverage VOX/TiO2 (101) and (001) Anatase Catalysts

(2015) Logi Arnarson et al.   Journal of Physical Chemistry C

Review of state of the art technologies of selective catalytic reduction of NOx from diesel engine exhaust

(2014) Bin Guan et al.   APPLIED THERMAL ENGINEERING

mBEEF: An accurate semi-local Bayesian error estimation density functional

(2014) Jess Wellendorff et al.   JOURNAL OF CHEMICAL PHYSICS

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Catalysis by Doped Oxides

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

Elementary steps of the catalytic NOx reduction with NH3: Cluster studies on reaction paths and energetics at vanadium oxide substrate

(2013) M. Gruber et al.   JOURNAL OF CHEMICAL PHYSICS

Promoting effect of calcium doping on the performances of MnOx/TiO2 catalysts for NO reduction with NH3 at low temperature

(2012) Tingting Gu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Electronic Origin of the Surface Reactivity of Transition-Metal-Doped TiO2(110)

(2012) Mónica García-Mota et al.   Journal of Physical Chemistry C

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Periodic density functional theory studies of the VOx/TiO2 (anatase) catalysts: Structure and stability of monomeric species

(2012) Yu-Jue Du et al.   SURFACE SCIENCE

Co-doping a metal (Cr, Fe, Co, Ni, Cu, Zn, Ce, and Zr) on Mn/TiO2 catalyst and its effect on the selective reduction of NO with NH3 at low-temperatures

(2011) Boningari Thirupathi et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Effect of Nickel as Dopant in Mn/TiO2 Catalysts for the Low-Temperature Selective Reduction of NO with NH3

(2011) Boningari Thirupathi et al.   CATALYSIS LETTERS

High performance vanadia–anatase nanoparticle catalysts for the Selective Catalytic Reduction of NO by ammonia

(2011) Steffen B. Kristensen et al.   JOURNAL OF CATALYSIS

Review on Modified TiO2Photocatalysis under UV/Visible Light: Selected Results and Related Mechanisms on Interfacial Charge Carrier Transfer Dynamics

(2011) S. Girish Kumar et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reduced and n-Type Doped TiO2: Nature of Ti3+ Species

(2009) Cristiana Di Valentin et al.   Journal of Physical Chemistry C