Rainer Beck

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Publications associées (44)

CHD3 Dissociation on the Kinked Pt(210) Surface: A Comparison of Experiment and Theory

Rainer Beck, Ana Gutiérrez González, Helen Jane Chadwick

To be able to simulate activated heterogeneously catalyzed reactions on the edge and corner sites of nanoparticles, a method for calculating accurate activation barriers for the reactions is required. We have recently demonstrated that a semiempirical spec ...

2019

Transferability of the SRP32-vdW specific reaction parameter functional to CHD3 dissociation on Pt(110)-(2 × 1)

Rainer Beck, Ana Gutiérrez González, Helen Jane Chadwick

Stepped transition metal surfaces, including the reconstructed Pt(110)-(2 × 1) surface, can be used to model the effect of line defects on cata- lysts. We present a combined experimental and theoretical study of CHD3 dissociation on this surface. Theoretic ...

2019

Site Selective Detection of Methane Dissociation on Stepped Pt Surfaces

Rainer Beck, Ana Gutiérrez González

We report a combined experimental and theoretical study comparing methane dissociation on three di erent platinum surfaces Pt(111), Pt(211), and Pt(110)-(1 × 2). Re ection absorption infrared spectroscopy (RAIRS) was used to detect chemisorbed methyl speci ...

2019

Quantum state-resolved studies of gas/surface reaction dynamics by vibrational spectroscopies

Rainer Beck

AMER CHEMICAL SOC2019

Unraveling the complexity of oxygen reactions on Pt surfaces

Rainer Beck, Ana Gutiérrez González

Platinum (Pt) is a key material in automotive catalytic converters used to clean up the exhaust of the combustion engine. Pt particles in a ceramic matrix serve as an oxidation catalyst to eliminate toxic carbon monoxide (CO) and unburned hydrocarbons (CxH ...

2019

Vibrational Energy Redistribution in a Gas-Surface Encounter: State-to-State Scattering of CH4 from Ni(111)

Rainer Beck, Jörn Werdecker, Maarten Eduard van Reijzen, Bo-Jung Chen

The fate of vibrational energy in the collision of methane (CH4) in its antisymmetric C-H stretch vibration (ν3) with a Ni(111) surface has been studied in a state-to-state scattering experiment. Laser excitation in the incident molecular beam prepared the ...

2018

Bond selective dissociation of methane (CH3D) on the steps and terraces of Pt(211)

Rainer Beck, Ana Gutiérrez González, Fleming Crim

The dissociative chemisorption of singly deuterated methane (CH3D) has been studied on the steps and terraces of a Pt(211) surface by quantum state resolved molecular beam methods. At incident translational energy (Et) below 50 kJ/mol, CH3D dissociates onl ...

2018

Methane dissociation on the steps and terraces of Pt(211) resolved by quantum state and impact site

Rainer Beck, Helen Jane Chadwick, Ana Gutiérrez González

Methane dissociation on the step and terrace sites of a Pt(211) single crystal was studied by reflection absorption infrared spectroscopy (RAIRS) at a surface temperature of 120 K. The C−H stretch RAIRS signal of the chemisorbed methyl product species was ...

American Institute of Physics2018

Quantum State–Resolved Studies of Chemisorption Reactions

Rainer Beck, Helen Jane Chadwick

Chemical reactions at the gas–surface interface are ubiquitous in the chemical industry as well as in nature. Investigating these processes at a microscopic, quantum state–resolved level helps develop a predictive understanding of this important class of r ...

Annual Reviews2017

Quantum-state-resolved reactivity of overtone excited CH4 on Ni(111): Comparing experiment and theory

Rainer Beck, Phil Morten Hundt, Maarten Eduard van Reijzen

Quantum state resolved reactivity measurements probe the role of vibrational symmetry on the vibrational activation of the dissociative chemisorption of CH4 on Ni(111). IR-IR double resonance excitation in a molecular beam was used to prepare CH4 in three ...

American Institute of Physics2017

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