研究领域

Physical/Materials/Theoretical

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.

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Epitaxial growth of few-layer MoS 2 (0001) on FeS 2 {100} T Liu, I Temprano, DA King, SM Driver, SJ Jenkins – Chemical communications (Cambridge, England) (2015) 51, 537 (DOI: 10.1039/c4cc06628f) Supramolecular self-assembled network formation containing N···Br halogen bonds in physisorbed overlayers. AY Brewer, M Sacchi, JE Parker, CL Truscott, SJ Jenkins, SM Clarke – Physical chemistry chemical physics : PCCP (2014) 16, 19608 (DOI: 10.1039/C4CP03379E) How physisorption guides chemisorption: Studied a-molecule-at-a-time by STM J Polanyi, A Chatterjee, F Cheng, K Huang, SJ Jenkins, W Ji, L Leung, T Lim, Z Ning, M Sacchi, C Wang – ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2014) 247 Co-adsorption of water and glycine on Cu{110} M Sacchi, SJ Jenkins – Physical chemistry chemical physics : PCCP (2014) 16, 6101 (DOI: 10.1039/c3cp55094j) Infrared spectroscopy of ammonia on iron: Thermal stability and the influence of potassium P Iyngaran, DC Madden, DA King, SJ Jenkins – Journal of Physical Chemistry C (2014) 118, 12184 (DOI: 10.1021/jp409718x) On the role of molecular chirality in amino acid self-organisation on Cu{311} DC Madden, ML Bentley, SJ Jenkins, SM Driver – Surface Science (2014) 629, 81 (DOI: 10.1016/j.susc.2014.03.025) Self-Organized Overlayers Formed by Alanine on Cu{311} Surfaces DC Madden, I Temprano, M Sacchi, M Blanco-Rey, SJ Jenkins, SM Driver – Journal of Physical Chemistry C (2014) 118, 18589 (DOI: 10.1021/jp505636v) Combined Diffraction and Density Functional Theory Calculations of Halogen-Bonded Cocrystal Monolayers M Sacchi, AY Brewer, SJ Jenkins, JE Parker, T Friščić, SM Clarke – Langmuir (2013) 29, 14903 (DOI: 10.1021/la402910a) Non-dissociative activation of chemisorbed dinitrogen on Ni{110} by co-adsorbed lithium T Liu, I Temprano, SJ Jenkins, DA King – The Journal of chemical physics (2013) 139, 184708 (DOI: 10.1063/1.4829067) Left foot, right foot, other foot: Glycine and alanine on Cu{311} DC Madden, I Temprano, M Sacchi, SM Driver, DA King, SJ Jenkins – ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY (2013) 245 Quantum influences in the diffusive motion of pyrrole on Cu(111). BA 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, DS Gunn, SJ Jenkins, DA King – Physical chemistry chemical physics : PCCP (2013) 15, 4059 (DOI: 10.1039/c3cp43836h) 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) Structure and stress of Re(112̄1); chiral terraces at a racemic surface HA Etman, G Held, SJ Jenkins, RA Bennett – Physical chemistry chemical physics : PCCP (2013) 15, 20823 (DOI: 10.1039/c3cp53165a) The crystalline structure of the phenazine overlayer physisorbed on a graphite surface AY Brewer, M Sacchi, JE Parker, CL Truscott, SJ Jenkins, SM Clarke – Molecular Physics (2013) 111, 3823 (DOI: 10.1080/00268976.2013.793844) Water and ammonia on Cu{110}: comparative structure and bonding G Jones, SJ Jenkins – Physical chemistry chemical physics : PCCP (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 : PCCP (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 : PCCP (2012) 14, 11491 (DOI: 10.1039/c2cp41549f) 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)