Regulating oxygen activity of perovskites to promote NOx oxidation and reduction kinetics

Operando identification of site-dependent water oxidation activity on ruthenium dioxide single-crystal surfaces

(2020) Reshma R. Rao et al.   Nature Catalysis

Assessing Correlations of Perovskite Catalytic Performance with Electronic Structure Descriptors

(2019) Ryan Jacobs et al.   CHEMISTRY OF MATERIALS

Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro)catalysis and ferroelectricity

(2019) Jonathan Hwang et al.   Materials Today

Ligand-Dependent Energetics for Dehydrogenation: Implications in Li-Ion Battery Electrolyte Stability and Selective Oxidation Catalysis of Hydrogen-Containing Molecules

(2019) Livia Giordano et al.   CHEMISTRY OF MATERIALS

Iron-facilitated dynamic active-site generation on spinel CoAl2O4 with self-termination of surface reconstruction for water oxidation

(2019) Tianze Wu et al.   Nature Catalysis

Material Discovery and Design Principles for Stable, High Activity Perovskite Cathodes for Solid Oxide Fuel Cells

(2018) Ryan Jacobs et al.   Advanced Energy Materials

CO2 Reactivity on Cobalt-Based Perovskites

(2018) Jonathan Hwang et al.   Journal of Physical Chemistry C

An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces

(2018) Colin F. Dickens et al.   SURFACE SCIENCE

Charge-transfer-energy-dependent oxygen evolution reaction mechanisms for perovskite oxides

(2017) Wesley T. Hong et al.   Energy & Environmental Science

A Theoretical Investigation into the Role of Surface Defects for Oxygen Evolution on RuO2

(2017) Colin F. Dickens et al.   Journal of Physical Chemistry C

Chemical Reactivity Descriptor for the Oxide-Electrolyte Interface in Li-Ion Batteries

(2017) Livia Giordano et al.   Journal of Physical Chemistry Letters

Impacts and mitigation of excess diesel-related NOx emissions in 11 major vehicle markets

(2017) Susan C. Anenberg et al.   NATURE

Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution

(2017) Alexis Grimaud et al.   Nature Chemistry

Perovskites in catalysis and electrocatalysis

(2017) Jonathan Hwang et al.   SCIENCE

The Effect of Pt Particle Size on the Oxidation of CO, C3H6, and NO Over Pt/Al2O3 for Diesel Exhaust Aftertreatment

(2017) Thomas Klint Hansen et al.   TOPICS IN CATALYSIS

To address surface reaction network complexity using scaling relations machine learning and DFT calculations

(2017) Zachary W. Ulissi et al.   Nature Communications

Kinetics of Oxygen Surface Exchange on Epitaxial Ruddlesden–Popper Phases and Correlations to First-Principles Descriptors

(2016) Yueh-Lin Lee et al.   Journal of Physical Chemistry Letters

Factors controlling oxygen migration barriers in perovskites

(2016) Tam T. Mayeshiba et al.   SOLID STATE IONICS

Heterogeneous Catalysis

(2015) Robert Schlögl   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis

(2015) Andrew J. Medford et al.   JOURNAL OF CATALYSIS

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

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

Reactivity of Perovskites with Water: Role of Hydroxylation in Wetting and Implications for Oxygen Electrocatalysis

(2015) Kelsey A. Stoerzinger et al.   Journal of Physical Chemistry C

Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-FeIII–O–CuII(L) Constructs

(2015) Shabnam Hematian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Managing nitrogen for sustainable development

(2015) Xin Zhang et al.   NATURE

XSEDE: Accelerating Scientific Discovery

(2014) John Towns et al.   COMPUTING IN SCIENCE & ENGINEERING

Revealing the atomic structure and strontium distribution in nanometer-thick La0.8Sr0.2CoO3−δ grown on (001)-oriented SrTiO3

(2014) Zhenxing Feng et al.   Energy & Environmental Science

Estimating Hybridization of Transition Metal and Oxygen States in Perovskites from O K-edge X-ray Absorption Spectroscopy

(2014) Jin Suntivich et al.   Journal of Physical Chemistry C

NO oxidation catalysis on copper doped hexagonal phase LaCoO3: a combined experimental and theoretical study

(2014) Chen Zhou et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

NOX storage and reduction over a perovskite-based lean NOX trap catalyst

(2013) Crystle Constantinou et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

The influence of nonstoichiometry on LaMnO3 perovskite for catalytic NO oxidation

(2013) Jiahao Chen et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Catalytic performance of NO oxidation over LaMeO3 (Me=Mn, Fe, Co) perovskite prepared by the sol–gel method

(2013) Jiahao Chen et al.   CATALYSIS COMMUNICATIONS

Chemistry of NOx on TiO2 Surfaces Studied by Ambient Pressure XPS: Products, Effect of UV Irradiation, Water, and Coadsorbed K+

(2013) Olivier Rosseler et al.   Journal of Physical Chemistry Letters

Double perovskites as a family of highly active catalysts for oxygen evolution in alkaline solution

(2013) Alexis Grimaud et al.   Nature Communications

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

Surface strontium enrichment on highly active perovskites for oxygen electrocatalysis in solid oxide fuel cells

(2012) Ethan J. Crumlin et al.   Energy & Environmental Science

Mixed-Phase Oxide Catalyst Based on Mn-Mullite (Sm, Gd)Mn2O5 for NO Oxidation in Diesel Exhaust

(2012) W. Wang et al.   SCIENCE

De-NOx in alternative lean/rich atmospheres on La1−xSrxCoO3 perovskites

(2011) Xin-Gang Li et al.   Energy & Environmental Science

Prediction of solid oxide fuel cell cathode activity with first-principles descriptors

(2011) Yueh-Lin Lee et al.   Energy & Environmental Science

In situ XPS study of the adsorption and reactions of NO and O2 on gold nanoparticles deposited on TiO2 and SiO2

(2011) Tirma Herranz et al.   JOURNAL OF CATALYSIS

Reversible Compositional Control of Oxide Surfaces by Electrochemical Potentials

(2011) Eva Mutoro et al.   Journal of Physical Chemistry Letters

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

(2011) J. Suntivich et al.   SCIENCE

Reduction by CO of NOx species stored onto Pt–K/Al2O3 and Pt–Ba/Al2O3 lean NOx traps

(2010) Sara Morandi et al.   CATALYSIS TODAY

In SituAmbient Pressure Studies of the Chemistry of NO2and Water on Rutile TiO2(110)

(2010) Jan Haubrich et al.   LANGMUIR

Strontium-Doped Perovskites Rival Platinum Catalysts for Treating NOx in Simulated Diesel Exhaust

(2010) C. H. Kim et al.   SCIENCE

Experimental and kinetic study of NO oxidation on model Pt catalysts

(2009) Divesh Bhatia et al.   JOURNAL OF CATALYSIS

XPS study of nitrogen dioxide adsorption on metal oxide particle surfaces under different environmental conditions

(2009) Jonas Baltrusaitis et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initioenergetics ofLaBO3(001)(B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes

(2009) Yueh-Lin Lee et al.   PHYSICAL REVIEW B

How a century of ammonia synthesis changed the world

(2008) Jan Willem Erisman et al.   Nature Geoscience

The nitrate–nitrite–nitric oxide pathway in physiology and therapeutics

(2008) Jon O. Lundberg et al.   NATURE REVIEWS DRUG DISCOVERY

Ambient pressure photoelectron spectroscopy: A new tool for surface science and nanotechnology

(2008) M SALMERON et al.   SURFACE SCIENCE REPORTS