
Professor of Physical & Computational Surface Chemistry
My research is centred upon the physics and chemistry of solid surfaces, explored predominantly through first-principles computational techniques (often in conjunction with ultra-high vacuum single-crystal experiments performed by colleagues and collaborators).
Past and present topics of particular interest include:
- surface structure and symmetry, with a focus on chirality at multiple length-scales;
- reaction dynamics of highly-oxidising species on semiconducting surfaces;
- electronic structure of half-metal surfaces, including states with non-trivial topology;
- non-trivial topology in bulk and surface phonon band structures;
- hydrogen and halogen bonding in adsorbed overlayers on graphite and gold;
- heterogeneous catalysis (ammonia synthesis, hydrocarbon combustion and synthesis, water gas shift, selective reduction).
In addition to my primary research, I am the author of two books - Chirality at Solid Surfaces (Wiley, 2018) and Foundations of Surface Science (Oxford University Press, 2023). I lecture undergraduate courses on the Electronic Structure and Properties of Solids; Surfaces and Interfaces; and the Electronic Structure of Solid Surfaces.
Professor Jenkins discusses his research
Publications
Mechanistic diversity in the reactive adsorption of chlorine trifluoride on monohydrogenated silicon.
Phys Chem Chem Phys
(2025)
27
15872
(doi: 10.1039/d5cp01331c)
First-Principles Dynamics of the Surface Fluorination of Diamond
Langmuir
(2025)
41
16315
(doi: 10.1021/acs.langmuir.5c01587)
First-Principles Simulation of Anharmonic and Anisotropic Vibrations of Glycinate on Copper.
ACS Omega
(2025)
10
7422
(doi: 10.1021/acsomega.5c00210)
Role of radicals in the reaction of oxygen difluoride with monohydrogenated silicon.
Phys Chem Chem Phys
(2025)
27
660
(doi: 10.1039/d4cp03375b)
Role of radicals in the reaction of oxygen difluoride with monohydrogenated silicon
Physical Chemistry Chemical Physics
(2025)
27
660
(doi: 10.1039/d4cp03375b)
Chemical Softness in Aromatic Adsorption: Benzene, Nitrobenzene and Anisole on Pt{111}
Journal of Physical Chemistry A
(2024)
128
6296
(doi: 10.1021/acs.jpca.4c02214)
Interchange of Weyl points in the phonon bands of a half-metal alloy
Physical review B (PRB)
(2024)
109
085140
(doi: 10.1103/PhysRevB.109.085140)
Code supporting "Interchange of Weyl Points in the Phonon Bands of a Half-Metal Alloy"
(2024)
(doi: 10.17863/CAM.105656)
Configuration of ammonia on Cu{311}: Infrared spectroscopy and first-principles theory
Journal of Chemical Physics
(2024)
160
054703
(doi: 10.1063/5.0187552)
Configuration of ammonia on Cu{311}: Infrared spectroscopy and first-principles theory.
The Journal of chemical physics
(2024)
160
054703
(doi: 10.1063/5.0187552)
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