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: C6H 6/2O and C6H6/2CO on Ni{111}
S Yamagishi, SJ Jenkins, DA King
J Am Chem Soc
(2004)
126
Car exhaust catalysis from first principles: selective NO reduction under excess O2 conditions on Ir.
Z-P Liu, SJ Jenkins, DA King
Journal of the American Chemical Society
(2004)
126
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
Why is silver catalytically active for NO reduction?: A unique pathway via an inverted (NO)2 dimer
Z-P Liu, SJ Jenkins, DA King
Journal of the American Chemical Society
(2004)
126
Theory of methane dehydrogenation on Pt{110}(1x2). 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
Theory of Methane Dehydrogenation on Pt{110}(1 × 2). Part I: Chemisorption of CH x (x = 0 −3)
MA Petersen, SJ Jenkins, DA King
Journal of Physical Chemistry B
(2004)
108
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
Surface infra-red emission during alkaki-metal incorporation at an oxide surface
YC Hou, SJ Jenkins, DA King
Surface Science
(2004)
550
Spin-polarised surfaces: Current state of Density Functional Theory investigations
SJ Jenkins
(2004)
15
Chapter 8 Spin-polarised surfaces: Current state of density functional theory investigations
SJ Jenkins
(2004)
15

Telephone number

01223 336502

Email address