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

Adsorbate/substrate bonding in Co{1010}/K-c(2 X 2) elucidated through first-principles theory
SJ Jenkins, DA King
Chemical Physics Letters
(2000)
317
Characterization of the Ge(001)/Si-(2 x 1) surface using lattice dynamics
HM Tutuncu, SJ Jenkins, GP Srivastava
Physical Review B Condensed Matter and Materials Physics
(1999)
60
First-principles theoretical studies of the structural, electronic and magnetic properties of Co{1010}-A
SJ Jenkins, DA King
Chemical Physics Letters
(1999)
309
Theoretical evidence concerning mixed dimer growth on the surface
SJ Jenkins, GP Srivastava
Journal of Physics: Condensed Matter
(1999)
8
Comparative ab initio pseudopotential studies of (2 x 1) group V overlayers on Si(001)
SCA Gay, SJ Jenkins, GP Srivastava
Journal of Physics Condensed Matter
(1999)
10
An ab initio pseudopotential calculation of ground-state and excited-state properties of gallium nitride
SJ JENKINS, GP SRIVASTAVA, JC INKSON
Journal of Physics: Condensed Matter
(1999)
6
Vibrational properties of Ge- and Sb-adsorbed Si(001) surfaces
HM Tutuncu, SJ Jenkins, GP Srivastava
Physical Review B Condensed Matter and Materials Physics
(1998)
58
A study of atomic vibrations on Si(001)/Sb(2 × 1)
HM Tutuncu, SJ Jenkins, GP Srivastava
Surface Science
(1998)
402-404
Ab initio calculation of geometry and bonding for overlaid and inlaid models of Si(001)/Sb(0.25ML)-c(4x4)
SJ Jenkins, GP Srivastava, RJ Dixon, CF McConville
Surface Science
(1998)
404
Ab-initio density functional calculations for Si(001)/Bi(1ML)-(2×1)
SCA Gay, SJ Jenkins, GP Srivastava
Surface Science
(1998)
402-404

Telephone number

01223 336502

Email address