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
Jumping, rotating, and flapping: The atomic-scale motion of thiophene on Cu(111)
BAJ Lechner, M Sacchi, AP Jardine, H Hedgeland, W Allison, J Ellis, SJ Jenkins, PC Dastoor, BJ Hinch - Journal of Physical Chemistry Letters (
2013)
4, 1953
(DOI:
10.1021/jz400639c)
Low temperature synthesis of NH3 from atomic N and H at the surfaces of FeS2{100} crystals
T Liu, I Temprano, SJ Jenkins, DA King, SM Driver - Journal of Physical Chemistry C (
2013)
117, 10990
(DOI:
10.1021/jp308872y)
Quantum influences in the diffusive motion of pyrrole on Cu(111)
BAJ Lechner, H Hedgeland, J Ellis, W Allison, M Sacchi, SJ Jenkins, BJ Hinch - Angew Chem Int Ed Engl (
2013)
52, 5085
(DOI:
10.1002/anie.201208868)
Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}
K Liao, V Fiorin, DSD Gunn, SJ Jenkins, DA King - Physical Chemistry Chemical Physics (
2013)
15, 4059
(DOI:
10.1039/c3cp43836h)
Water and ammonia on Cu{110}: comparative structure and bonding
G Jones, SJ Jenkins - Physical Chemistry Chemical Physics (
2013)
15, 4785
(DOI:
10.1039/c3cp42658k)
Mode-specificity and transition state-specific energy redistribution in the chemisorption of CH4 on Ni{100}.
M Sacchi, DJ Wales, SJ Jenkins - Physical Chemistry Chemical Physics (
2012)
14, 15879
(DOI:
10.1039/c2cp42345f)
Nitrogen adsorption and desorption at iron pyrite FeS2{100} surfaces
T Liu, I Temprano, SJ Jenkins, DA King, SM Driver - Physical Chemistry Chemical Physics (
2012)
14, 11491
(DOI:
10.1039/c2cp41549f)
Bond-selective energy redistribution in the chemisorption of CH3D and CD3H on Pt{110)-(1 x 2): A first-principles molecular dynamics study
M Sacchi, DJ Wales, SJ Jenkins - Computational and Theoretical Chemistry (
2012)
990, 144
(DOI:
10.1016/j.comptc.2011.11.048)
The Importance of Attractive Three-Point Interaction in Enantioselective Surface Chemistry: Stereospecific Adsorption of Serine on the Intrinsically Chiral Cu{531} Surface
T Eralp, A Ievins, A Shavorskiy, SJ Jenkins, G Held - Journal of the American Chemical Society (
2012)
134, 9615
(DOI:
10.1021/ja210499m)
Microcalorimetry of oxygen adsorption on fcc Co{110}.
K Liao, V Fiorin, SJ Jenkins, DA King - Physical Chemistry Chemical Physics (
2012)
14, 7528
(DOI:
10.1039/c2cp40549k)
Funding
Further Funding Information