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
Role of nanostructured dual-oxide supports in enhanced catalytic activity: theory of CO oxidation over Au/IrO2/TiO2.
– Physical Review Letters
(2004)
93,
156102
Car exhaust catalysis from first principles: Selective NO reduction under excess O2 conditions on Ir
– Journal of the American Chemical Society
(2004)
126,
10746
(doi: 10.1021/ja0481833)
Driving forces for self-organized coadsorption: C6H6/2O and C6H6/2CO on Ni[111].
– Journal of the American Chemical Society
(2004)
126,
10962
(doi: 10.1021/ja048589y)
Car exhaust catalysis from first principles: Selective NO reduction under excess O2 conditions on Ir
– Journal of the American Chemical Society
(2004)
126,
10746
(doi: 10.1021/ja0481833)
Why is silver catalytically active for NO reduction? A unique pathway via an inverted (NO)2 dimer
– Journal of the American Chemical Society
(2004)
126,
7336
(doi: 10.1021/ja049126c)
Why Is Silver Catalytically Active for NO Reduction? A Unique Pathway via an Inverted (NO)2 Dimer
– J Am Chem Soc
(2004)
126,
7336
(doi: 10.1021/ja049126c)
Theory of Methane Dehydrogenation on Pt{110}(1 × 2). Part I: Chemisorption of CHx(x= 0 −3)
– Journal of Physical Chemistry B
(2004)
108,
5909
(doi: 10.1021/jp037880z)
Theory of methane dehydrogenation on Pt{110}(1x2). Part II: Microscopic reaction pathways for CHx -> CHx-1(x=1-3)
– Journal of Physical Chemistry B
(2004)
108,
5920
(doi: 10.1021/jp037881r)
Electronic structure of a stepped semiconductor surface: Density functional theory of Si(114)-(2X1)
– Physical Review B Condensed Matter and Materials Physics
(2004)
69,
853031
(doi: 10.1103/PhysRevB.69.085303)
Surface infra-red emission during alkaki-metal incorporation at an oxide surface
– Surface Science
(2004)
550,
l27
(doi: 10.1016/j.susc.2003.11.043)
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