A transferable prediction model of molecular adsorption on metals based on adsorbate and substrate properties

Autor: Paolo Restuccia, Ehsan A. Ahmad, Nicholas M. Harrison

Surface adsorption is one of the fundamental processes in numerous fields, including catalysis, environment, energy and medicine. The development of an adsorption model which provides an effective prediction of binding energy in minutes has been a lo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::948af7974a71626c9bef5380bd83aa82
https://hdl.handle.net/11585/894206

Beyond band bending in the WO3/BiVO4 heterojunction: insight from DFT and experiment

Autor: Ehsan A. Ahmad, Andreas Kafizas, Shababa Selim, Carles Rafols i Belles, Nicholas M. Harrison

Publikováno v: Sustainable Energy & Fuels. 3:264-271

Heterojunction photocatalysts can significantly enhance the efficiency of photocatalytic water splitting. It is well known that the key to such improvements lies at the interfacial region where charge separation occurs. Understanding the origins of t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c4d68e3062a80cfb95f4679146932ab
https://doi.org/10.1039/c8se00420j

Core level photoemission line shape selection:Atomic adsorbates on iron

Autor: Hadeel Hussain, Christopher Sewell, Marek Nikiel, Ehsan A. Ahmad, Carles Rafols i Belles, Robert Lindsay, Monika S. Walczak, Christopher A. Muryn, Nicholas M. Harrison, Matthew Acres, Alex S. Walton

Publikováno v: Acres, M J, Hussain, H, Walczak, M S, Nikiel, M, Sewell, C, Rafols i Belles, C, Ahmad, E A, Walton, A S, Muryn, C A, Harrison, N M & Lindsay, R 2020, ' Core level photoemission line shape selection : Atomic adsorbates on iron ', Surface Interface Analysis, vol. 52, no. 8, pp. 507-512 . https://doi.org/10.1002/sia.6770

Robust fitting of core level photoemission spectra is often central to reliable interpretation of X‐ray photoelectron spectroscopy (XPS) data. One key element is employment of the correct line shape function for each spectral component. In this stu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::661b82c78378cc54db1dcad5831f8c19
https://doi.org/10.1002/sia.6770

Temporal evolution of sweet oilfield corrosion scale: Phases, morphologies, habits, and protection

Autor: Xiang Li Zhong, Nicholas M. Harrison, Anthony Cook, Robert Lindsay, Gaurav R. Joshi, Karyn Cooper, Dirk Engelberg, Ehsan A. Ahmad

Publikováno v: Joshi, G, Cooper, K, Zhong, X, Cook, A, Ahmad, E, Harrison, N M, Engelberg, D & Lindsay, R 2018, ' Temporal evolution of sweet oilfield corrosion scale: Phases, morphologies, habits, and protection ', Corrosion Science, vol. 142, pp. 110-118 . https://doi.org/10.1016/j.corsci.2018.07.009

Electrochemical measurements and substrate analysis have been employed to study the corrosion of iron in sweet solution (pH = 6.8, T = 80 °C) over a period of 288 h. Correlated with decreasing corrosion rate, diffraction, microscopy, and spectroscop

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4fa7b43481c3a99cc946e46df9d215f2
http://www.mendeley.com/research/temporal-evolution-sweet-oilfield-corrosion-scale-phases-morphologies-habits-protection

Optimizing Oxygen Reduction Catalyst Morphologies from First Principles

Autor: Yang Shao-Horn, Denis Kramer, Nicholas M. Harrison, Anthony Kucernak, Vasiliki Tileli, Ehsan A. Ahmad, Kelsey A. Stoerzinger, Giuseppe Mallia

Catalytic activity of perovskites for oxygen reduction (ORR) was recently correlated with bulk d-electron occupancy of the transition metal. We expand on the resultant model, which successfully reproduces the high activity of LaMnO3 relative to other

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::345a21caed0813eef10a1a983e4d25ed
http://hdl.handle.net/10044/1/26018