Our research is focussed upon the application of first-principles theory and ultra-high-vacuum single-crystal experiments to problems in surface chemistry and catalysis. We make use of fibre-optic low-energy electron diffraction (FO-LEED) to obtain structural information, reflection absorption infra-red spectroscopy (RAIRS) to obtain vibrational information, single-crystal adsorption calorimetry (SCAC) to obtain energetic information, supersonic molecular beams (SMB) to obtain kinetic information, and low- temperature scanning tunnelling microscopy (LT-STM) to obtain morphological, topographic and electronic information about surfaces and the molecules that adsorb, diffuse and react upon them. Density functional theory (DFT) provides a framework within which to calculate comparable data, which aids in the interpretation of our experimental work.
Our work is concentrated within four main research themes: . Complex interadsorbate interactions . Nanoscale surface phenomena . Chiral surface systems . Tuning reactivity and catalysis
Individual research projects are chosen to reflect these themes, lending coherence to a diverse range of topical studies. Thus, by way of example, our work on the adsorption of alanine on Cu{531} addresses issues relating to the formation of complex hydrogen-bonded adsorbate networks, whilst also shedding light on the interaction of chiral molecules with an intrinsically chiral metal surface; moreover, certain adsorbates can cause this unstable surface to break up into nanoscale facets, whose catalytic properties will differ markedly from those of the notionally ideal surface. Tackling these interlinked aspects of surface science requires a flexible approach, making use of multiple experimental techniques complemented by a rigorously benchmarked theoretical methodology.
General
Facile dissociation of CO on Fe{2 1 1}: Evidence from microcalorimetry and first-principles theory
D Borthwick, V Fiorin, SJ Jenkins, DA King - Surface Science (
2008)
602, 2325
(DOI:
10.1016/j.susc.2008.05.014)
Oxidation of hydrocarbons at surface defects: Unprecedented confirmation of the oxomethylidyne pathway on a stepped Rh surface
T Bhattacharjee, OR Inderwildi, SJ Jenkins, U Riedel, J Warnatz - JOURNAL OF PHYSICAL CHEMISTRY C (
2008)
112, 8751
(DOI:
10.1021/jp8026594)
Dynamic interplay between diffusion and reaction: Nitrogen recombination on Rh{211} in car exhaust catalysis
OR Inderwildi, SJ Jenkins, DA King - Journal of the American Chemical Society (
2008)
130, 2213
(DOI:
10.1021/ja0754913)
Fischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gas
OR Inderwildi, SJ Jenkins, DA King - Journal of Physical Chemistry C (
2008)
112, 1305
(DOI:
10.1021/jp710674q)
Mechanistic studies of hydrocarbon combustion and synthesis on noble metals.
OR Inderwildi, SJ Jenkins, DA King - Angew Chem Int Ed Engl (
2008)
47, 5253
(DOI:
10.1002/anie.200800685)
Beyond the surface atlas: A roadmap and gazetteer for surface symmetry and structure
SJ Jenkins, SJ Pratt - SURFACE SCIENCE REPORTS (
2007)
62, 373
(DOI:
10.1016/j.surfrep.2007.06.001)
When adding an unreactive metal enhances catalytic activity: NOx decomposition over silver-rhodium bimetallic surfaces
OR Inderwildi, SJ Jenkins, DA King - Surface Science (
2007)
601, L103
(DOI:
10.1016/j.susc.2007.06.031)
Surface states and surface stability in half-metallic systems: the cases of zinc-blende-structure MnSb {111}A, {111}B and {001}
S Mollet, SJ Jenkins - J PHYS-CONDENS MAT (
2007)
19, 315214
(DOI:
10.1088/0953-8984/19/31/315214)
Lifting of Ir{100} reconstruction by CO adsorption: An ab initio study
P Ghosh, S Narasimhan, SJ Jenkins, DA King - Journal of Chemical Physics (
2007)
126, ARTN 244701
(DOI:
10.1063/1.2741540)
An unexpected pathway for the catalytic oxidation of methylidyne on Rh{111} as a route to syngas.
OR Inderwildi, SJ Jenkins, DA King - Journal of the American Chemical Society (
2007)
129, 1751
(DOI:
10.1021/ja067722w)
Funding
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