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Professor of Physical & Computational Surface Chemistry

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;
  • and 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.

Professor Jenkins discusses his research

Publications

Driving Forces for Self-Organized Coadsorption:  C6H6/2O and C6H6/2CO on Ni{111}
S Yamagishi, SJ Jenkins, DA King
– J Am Chem Soc
(2004)
126,
10962
Car exhaust catalysis from first principles: Selective NO reduction under excess O-2 conditions on Ir
Z-P Liu, SJ Jenkins, DA King
– Journal of the American Chemical Society
(2004)
126,
10746
Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)2 dimer
ZP Liu, SJ Jenkins, DA King
– Journal of the American Chemical Society
(2004)
126,
7336
Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)2 dimer.
Z-P Liu, SJ Jenkins, DA King
– J Am Chem Soc
(2004)
126,
7336
Theory of methane dehydrogenation on Pt{110}(1x2).: Part 1:: Chemisorption of CHx (x=0-3)
MA Petersen, SJ Jenkins, DA King
– Journal of Physical Chemistry B
(2004)
108,
5909
Theory of methane dehydrogenation on pt{110}(1 × 2). Part ii: Microscopic reaction pathways for chx → Chx-1 (x = 1-3)
MA Petersen, SJ Jenkins, DA King
– The Journal of Physical Chemistry B
(2004)
108,
5920
Electronic structure of a stepped semiconductor surface: Density functional theory of Si(114)-(2X1)
RD Smardon, GP Srivastava, SJ Jenkins
– Physical Review B - Condensed Matter and Materials Physics
(2004)
69,
853031
Surface infra-red emission during alkali–metal incorporation at an oxide surface
YC Hou, SJ Jenkins, DA King
– Surface Science
(2004)
550,
L27
Chapter 8 Spin-polarised surfaces: Current state of density functional theory investigations
SJ Jenkins
(2004)
15,
261
Spin-polarised surfaces: Current state of Density Functional Theory investigations
SJ Jenkins
(2004)
15,
261
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Research Interest Groups

Telephone number

01223 336502

Email address