State-resolved probes of methane dissociation dynamics

LBF Juurlink, DR Killelea, AL Utz - Progress in Surface Science, 2009 - Elsevier
A new generation of experimental techniques quantifies the gas–surface reactivity of
polyatomic reactants prepared in a single quantum state. These experiments eliminate …

Quantum state–resolved studies of chemisorption reactions

H Chadwick, RD Beck - Annual review of physical chemistry, 2017 - annualreviews.org
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 …

Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces

GB Park, BC Krüger, D Borodin… - Reports on Progress …, 2019 - iopscience.iop.org
The dream of theoretical surface chemistry is to predict the outcome of reactions in order to
find the ideal catalyst for a certain application. Having a working ab initio theory in hand …

Precursor-mediated reactivity of vibrationally hot molecules: Methane activation on Ir (1 1 1)

E Dombrowski, E Peterson, D Del Sesto, AL Utz - Catalysis Today, 2015 - Elsevier
Industrial steam reformers use temperatures greater than 1000 K to activate methane
dissociation. At these temperatures, typical translational energies (E trans) are much lower …

Vibrationally bond-selected chemisorption of methane isotopologues on Pt (111) studied by reflection absorption infrared spectroscopy

L Chen, H Ueta, R Bisson, RD Beck - Faraday discussions, 2012 - pubs.rsc.org
Reflection absorption infrared spectroscopy (RAIRS) was used to probe for vibrational bond-
selectivity in the dissociative chemisorption of three partially deuterated methane …

Mode selective chemistry at surfaces

AL Utz - Current Opinion in Solid State and Materials Science, 2009 - Elsevier
Surface chemistry experiments can now quantify the reactivity of polyatomic reagents
prepared in select vibrational states. These studies of vibrationally mediated chemistry are …

Surface temperature dependence of methane activation on Ni (111)

DR Killelea, VL Campbell, NS Shuman… - The Journal of …, 2009 - ACS Publications
Vibrational state resolved measurements of methane's dissociation on Ni (111) show a
strong surface temperature dependence near the translational energy threshold for reaction …

[HTML][HTML] The dehydrogenation of butane on metal-free graphene

A Brooks, SJ Jenkins, S Wrabetz, J McGregor… - Journal of colloid and …, 2022 - Elsevier
The dehydrogenation of alkane feedstock to produce alkenes is a significant and energy
intensive industrial process, generally occurring on metals and metal oxides. Here, we …

Mode-Specific Chemisorption of CH4 on Pt{110}-(1 × 2) Explored by First-Principles Molecular Dynamics

M Sacchi, DJ Wales, SJ Jenkins - The Journal of Physical …, 2011 - ACS Publications
The chemisorption of CH4 on Pt {110}-(1× 2) has been studied by vibrational analysis of the
reaction pathway defined by the potential energy surface and, in time reversal, by first …

State-resolved reactivity of CH4 on Pt (110)-(1× 2): The role of surface orientation and impact site

R Bisson, M Sacchi, RD Beck - The Journal of chemical physics, 2010 - pubs.aip.org
The reactivity of methane (CH 4) on Pt (110)-(1× 2) has been studied by quantum state-
resolved surface reactivity measurements. Ground state reaction probabilities, S 0 (v= 0)≅ S …