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

First-Principles Simulation of Anharmonic and Anisotropic Vibrations of Glycinate on Copper.
AD Ievins, M Sacchi, SJ Jenkins
ACS omega
(2025)
10
Role of Radicals in the Reaction of Oxygen Difluoride with Monohydrogenated Silicon
H Thake, SJ Jenkins
Physical Chemistry Chemical Physics
(2025)
27
Role of radicals in the reaction of oxygen difluoride with monohydrogenated silicon
H Thake, SJ Jenkins
Physical Chemistry Chemical Physics
(2025)
27
Chemical Softness in Aromatic Adsorption: Benzene, Nitrobenzene and Anisole on Pt{111}
AL Gunton, SJ Jenkins
The journal of physical chemistry. A
(2024)
128
Interchange of Weyl points in the phonon bands of a half-metal alloy
SJ Jenkins, GP Srivastava
Physical review B (PRB)
(2024)
109
Code supporting "Interchange of Weyl Points in the Phonon Bands of a Half-Metal Alloy"
S Jenkins
(2024)
Configuration of ammonia on Cu{311}: Infrared spectroscopy and first-principles theory
K Sitathani, I Temprano, SJ Jenkins
The Journal of Chemical Physics
(2024)
160
Configuration of Ammonia on Cu{311}: Infrared Spectroscopy and First-Principles Theory
K Sitathani, I Temprano, SJ Jenkins
The Journal of chemical physics
(2024)
160
Dynamic Diastereomerism on Chiral Surfaces.
SC Matysik, DJ Wales, SJ Jenkins
The journal of physical chemistry. C, Nanomaterials and interfaces
(2022)
127
First-Principles Dynamics of Fluorine Adsorption on Clean and Monohydrogenated Si{001}.
IYH Wu, SJ Jenkins
Langmuir : the ACS journal of surfaces and colloids
(2022)
38

Telephone number

01223 336502

Email address