Is There a Stable Deacon Catalyst? Computational Screening Approach for the Stability of Oxide Catalysts under Harsh Conditions

Catalytic Stability Studies Employing Dedicated Model Catalysts

(2020) Franziska Hess et al.   ACCOUNTS OF CHEMICAL RESEARCH

Predictive system-level modeling framework for transient operation and cathode platinum degradation of high temperature proton exchange membrane fuel cells

(2020) Ambrož Kregar et al.   APPLIED ENERGY

Reactivation of CeO2‐based Catalysts in the HCl Oxidation Reaction: In situ Quantification of the Degree of Chlorination and Kinetic Modeling

(2020) Herbert Over et al.   ChemCatChem

Critical Review of Catalysis for Ethylene Oxychlorination

(2020) Hongfei Ma et al.   ACS Catalysis

Predicting the Activity and Selectivity of Bimetallic Metal Catalysts for Ethanol Reforming using Machine Learning

(2020) Nongnuch Artrith et al.   ACS Catalysis

A review of Solid Oxide Fuel Cell cathode materials with respect to their resistance to the effects of chromium poisoning

(2020) C.M. Harrison et al.   SOLID STATE IONICS

Machine Learning for Computational Heterogeneous Catalysis

(2019) Philomena Schlexer Lamoureux et al.   ChemCatChem

Methane Steam Reforming on the Pt/CeO2 Catalyst: Effect of Daily Start-Up and Shut-Down on Long-Term Stability of the Catalyst

(2019) Um-e-Salma Amjad et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Ethylene versus ethane: A DFT-based selectivity descriptor for efficient catalyst screening

(2018) Lang Xu et al.   JOURNAL OF CATALYSIS

The stabilizing effect of water and high reaction temperatures on the CeO 2 -catalyst in the harsh HCl oxidation reaction

(2018) Chenwei Li et al.   JOURNAL OF CATALYSIS

Catalytic HCl oxidation reaction: Stabilizing effect of Zr-doping on CeO2 nano-rods

(2018) Chenwei Li et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Stability field diagrams for Ln–O–Cl systems

(2016) K T JACOB et al.   BULLETIN OF MATERIALS SCIENCE

Computational catalyst screening: Scaling, bond-order and catalysis

(2016) Frank Abild-Pedersen   CATALYSIS TODAY

Lanthanide compounds as catalysts for the one-step synthesis of vinyl chloride from ethylene

(2016) Matthias Scharfe et al.   JOURNAL OF CATALYSIS

Rate-Determining Step or Rate-Determining Configuration? The Deacon Reaction over RuO2(110) Studied by DFT-Based KMC Simulations

(2016) Franziska Hess et al.   ACS Catalysis

Electrospun ceria-based nanofibers for the facile assessment of catalyst morphological stability under harsh HCl oxidation reaction conditions

(2015) Maren Möller et al.   CATALYSIS TODAY

Thermodynamic functions and formation enthalpies of scandium trihalides molecules

(2015) E. L. Osina et al.   HIGH TEMPERATURE

Degree of rate control approach to computational catalyst screening

(2015) Christopher A. Wolcott et al.   JOURNAL OF CATALYSIS

Heterogeneous Catalyst Deactivation and Regeneration: A Review

(2015) Morris Argyle et al.   Catalysts

The Thermodynamic Properties of thef-Elements and their Compounds. Part 2. The Lanthanide and Actinide Oxides

(2014) Rudy J. M. Konings et al.   JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA

Scaling relations between adsorption energies for computational screening and design of catalysts

(2014) Matthew M. Montemore et al.   Catalysis Science & Technology

Enhancing catalytic activity and stability for CO2 methanation on Ni–Ru/γ-Al2O3via modulating impregnation sequence and controlling surface active species

(2014) Wenlong Zhen et al.   RSC Advances

Synthesis and Catalytic Performance of CeOCl in Deacon Reaction

(2013) Ramzi Farra et al.   CATALYSIS LETTERS

Niobium: Activator and Stabilizer for a Copper-Based Deacon Catalyst

(2013) Markus Hammes et al.   ChemCatChem

Industrial RuO2-Based Deacon Catalysts: Carrier Stabilization and Active Phase Content Optimization

(2013) Amol P. Amrute et al.   ChemCatChem

Structural and electronic effects in heterogeneous electrocatalysis: Toward a rational design of electrocatalysts

(2013) Aliaksandr S. Bandarenka et al.   JOURNAL OF CATALYSIS

Understanding CeO2 as a Deacon catalyst by probe molecule adsorption and in situ infrared characterisations

(2013) Ramzi Farra et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Depleted uranium catalysts for chlorine production

(2013) Amol P. Amrute et al.   Chemical Science

Supported CeO2 catalysts in technical form for sustainable chlorine production

(2012) M. Moser et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

A search for alternative Deacon catalysts

(2012) Markus Hammes et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Atomic-Scale Understanding of the HCl Oxidation Over RuO2, A Novel Deacon Process

(2012) Herbert Over   Journal of Physical Chemistry C

In situ surface coverage analysis of RuO2-catalysed HCl oxidation reveals the entropic origin of compensation in heterogeneous catalysis

(2012) Detre Teschner et al.   Nature Chemistry

Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles

(2012) Rees B. Rankin et al.   ACS Catalysis

Kinetic aspects and deactivation behaviour of chromia-based catalysts in hydrogen chloride oxidation

(2012) Amol P. Amrute et al.   Catalysis Science & Technology

Shaped RuO2/SnO2-Al2O3 Catalyst for Large-Scale Stable Cl2 Production by HCl Oxidation

(2011) Cecilia Mondelli et al.   ChemCatChem

Sustainable chlorine recycling via catalysed HCl oxidation: from fundamentals to implementation

(2011) Javier Pérez-Ramírez et al.   Energy & Environmental Science

An integrated approach to Deacon chemistry on RuO2-based catalysts

(2011) Detre Teschner et al.   JOURNAL OF CATALYSIS

Performance, structure, and mechanism of CeO2 in HCl oxidation to Cl2

(2011) Amol P. Amrute et al.   JOURNAL OF CATALYSIS

Thermodynamic properties of RhO2

(2010) K.T. Jacob et al.   JOURNAL OF ALLOYS AND COMPOUNDS

In situ studies of the oxidation of HCl over RuO2 model catalysts: Stability and reactivity

(2010) S. Zweidinger et al.   JOURNAL OF CATALYSIS

Hydrogen-Promoted Chlorination of RuO2(110)

(2010) Jan Philipp Hofmann et al.   Journal of Physical Chemistry C

Temporal Analysis of Products Study of HCl Oxidation on Copper- and Ruthenium-Based Catalysts

(2010) Amol P. Amrute et al.   Journal of Physical Chemistry C

Dynamic response of chlorine atoms on a RuO2(110) model catalyst surface

(2010) Jan Philipp Hofmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combinatorial Density Functional Theory-Based Screening of Surface Alloys for the Oxygen Reduction Reaction

(2009) Jeff Greeley et al.   Journal of Physical Chemistry C

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Stable Deacon Process for HCl Oxidation over RuO2

(2008) Daniela Crihan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Lanthanide(III) halides: Thermodynamic properties and their correlation with crystal structure

(2006) L. Rycerz et al.   JOURNAL OF ALLOYS AND COMPOUNDS