Patched bimetallic surfaces are active catalysts for ammonia decomposition

Selective liquid-phase oxidation of glycerol over Au–Pd/C bimetallic catalysts prepared by electroless deposition

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On factors controlling activity of submonolayer bimetallic catalysts: Nitrogen desorption

(2014) Wei Guo et al.   JOURNAL OF CHEMICAL PHYSICS

Platinum–cobalt bimetallic nanoparticles in hollow carbon nanospheres for hydrogenolysis of 5-hydroxymethylfurfural

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Effect of local metal microstructure on adsorption on bimetallic surfaces: Atomic nitrogen on Ni/Pt(111)

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Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions

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Experimental and Theoretical Investigation of Molybdenum Carbide and Nitride as Catalysts for Ammonia Decomposition

(2013) Weiqing Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

How Theoretical Simulations Can Address the Structure and Activity of Nanoparticles

(2013) Giuliano Carchini et al.   TOPICS IN CATALYSIS

On the Structure Sensitivity of Direct NO Decomposition over Low-Index Transition Metal Facets

(2013) Hanne Falsig et al.   TOPICS IN CATALYSIS

Design Principles of Heteroepitaxial Bimetallic Catalysts

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Review of Pt-Based Bimetallic Catalysis: From Model Surfaces to Supported Catalysts

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Designing bimetallic catalysts for a green and sustainable future

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Ammonia decomposition on Fe(110), Co(111) and Ni(111) surfaces: A density functional theory study

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Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations

(2012) Georgios Kyriakou et al.   SCIENCE

The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts

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Correlating Ethylene Glycol Reforming Activity with In Situ EXAFS Detection of Ni Segregation in Supported NiPt Bimetallic Catalysts

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Ammonia as a possible element in an energy infrastructure: catalysts for ammonia decomposition

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A graph-theoretical kinetic Monte Carlo framework for on-lattice chemical kinetics

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First-Principles-Based Kinetic Monte Carlo Simulation of the Structure Sensitivity of the Water–Gas Shift Reaction on Platinum Surfaces

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Synergetic Effect of Surface and Subsurface Ni Species at Pt−Ni Bimetallic Catalysts for CO Oxidation

(2011) Rentao Mu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Differentiation of O–H and C–H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments

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Density functional theory in surface chemistry and catalysis

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First-principles calculations of ammonia decomposition on Ni(110) surface

(2011) Xuezhi Duan et al.   SURFACE SCIENCE

Tests of the RPBE, revPBE, τ-HCTHhyb, ωB97X-D, and MOHLYP density functional approximations and 29 others against representative databases for diverse bond energies and barrier heights in catalysis

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Evolution of Structure and Chemistry of Bimetallic Nanoparticle Catalysts under Reaction Conditions

(2010) Feng Tao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Preferential CO Oxidation in Hydrogen: Reactivity of Core−Shell Nanoparticles

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Using first principles to predict bimetallic catalysts for the ammonia decomposition reaction

(2010) Danielle A. Hansgen et al.   Nature Chemistry

Lattice-strain control of the activity in dealloyed core–shell fuel cell catalysts

(2010) Peter Strasser et al.   Nature Chemistry

Core-shell structured iron nanoparticles for the generation of COx-free hydrogen via ammonia decomposition

(2009) Yanxing Li et al.   CATALYSIS COMMUNICATIONS

Correlating Particle Size and Shape of Supported Ru/γ-Al2O3Catalysts with NH3Decomposition Activity

(2009) Ayman M. Karim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ammonia synthesis and decomposition on a Ru-based catalyst modeled by first-principles

(2009) A. Hellman et al.   SURFACE SCIENCE

Role of B5-Type Sites in Ru Catalysts used for the NH3 Decomposition Reaction

(2009) F. R. García-García et al.   TOPICS IN CATALYSIS

Adsorption and dissociation of ammonia on Au(111) surface: A density functional theory study

(2008) Ruiqiu Liu et al.   APPLIED SURFACE SCIENCE

Ammonia for hydrogen storage: challenges and opportunities

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First-principles study of decomposition of NH3 on Ir(100)

(2008) Wuying Huang et al.   SURFACE SCIENCE

Theoretical study of adsorption and dissociation of NH3 on the Ir{110}(1×2) surface

(2008) WuYing Huang et al.   Science Bulletin