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State-resolved probes of methane dissociation dynamics
A new generation of experimental techniques quantifies the gas–surface reactivity of
polyatomic reactants prepared in a single quantum state. These experiments eliminate …
polyatomic reactants prepared in a single quantum state. These experiments eliminate …
Quantum state–resolved studies of chemisorption reactions
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 …
well as in nature. Investigating these processes at a microscopic, quantum state–resolved …
Fundamental mechanisms for molecular energy conversion and chemical reactions at surfaces
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 …
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)
Industrial steam reformers use temperatures greater than 1000 K to activate methane
dissociation. At these temperatures, typical translational energies (E trans) are much lower …
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
Reflection absorption infrared spectroscopy (RAIRS) was used to probe for vibrational bond-
selectivity in the dissociative chemisorption of three partially deuterated methane …
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 …
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 …
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 …
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
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 …
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
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 …
resolved surface reactivity measurements. Ground state reaction probabilities, S 0 (v= 0)≅ S …