David Santos-Carballal
David Santos-Carballal
Research Fellow at the School of Chemistry, University of Leeds, United Kingdom
Verified email at - Homepage
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Cited by
A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe₃O₄
D Santos-Carballal, A Roldan, R Grau-Crespo, NH de Leeuw
Physical Chemistry Chemical Physics 16 (39), 21082-21097, 2014
A comparative DFT study of the mechanical and electronic properties of greigite Fe₃S₄ and magnetite Fe₃O₄
A Roldan, D Santos-Carballal, NH de Leeuw
The Journal of Chemical Physics 138 (20), 204712, 2013
First-principles study of the inversion thermodynamics and electronic structure of FeM₂X₄ (thio)spinels (M= Cr, Mn, Co, Ni; X= O, S)
D Santos-Carballal, A Roldan, R Grau-Crespo, NH de Leeuw
Physical Review B 91 (19), 195106, 2015
Tuning ZnO Sensors Reactivity Towards Volatile Organic Compounds via Ag Doping and Nanoparticle Functionalisation
V Postica, A Vahl, D Santos-Carballal, T Dankwort, L Kienle, M Hoppe, ...
ACS Applied Materials & Interfaces, 10.1021/acsami.9b07275, 2019
Tuning doping and surface functionalization of columnar oxide films for volatile organic compounds sensing: experiments and theory
V Postica, A Vahl, J Strobel, D Santos-Carballal, O Lupan, ...
Journal of Materials Chemistry A, 2018
Reactivity of CO₂ on the surfaces of magnetite (Fe₃O₄), greigite (Fe₃S₄) and mackinawite (FeS)
D Santos-Carballal, A Roldan, NY Dzade, NH de Leeuw
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2018
Insight into Nature of Iron Sulfide Surfaces during the Electrochemical Hydrogen Evolution and CO₂ Reduction Reactions
SNA Zakaria, N Hollingsworth, HU Islam, A Roffey, D Santos-Carballal, ...
ACS Applied Materials & Interfaces, 2018
Early Oxidation Processes on the Greigite Fe₃S₄(001) Surface by Water: A Density Functional Theory Study
D Santos-Carballal, A Roldan, NH de Leeuw
The Journal of Physical Chemistry C 120 (16), 8616-8629, 2016
A density functional theory study of uranium-doped thoria and uranium adatoms on the major surfaces of thorium dioxide
AE Shields, D Santos-Carballal, NH de Leeuw
Journal of Nuclear Materials 473, 99-111, 2016
Surface functionalization of ZnO: Ag columnar thin films with AgAu and AgPt bimetallic alloy nanoparticles as an efficient pathway for highly sensitive gas discrimination and …
A Vahl, O Lupan, D Santos-Carballal, V Postica, S Hansen, H Cavers, ...
Journal of Materials Chemistry A 8 (32), 16246-16264, 2020
A DFT+U study of the oxidation of cobalt nanoparticles: Implications for biomedical applications
B Farkaš, D Santos-Carballal, A Cadi-Essadek, NH de Leeuw
Materialia 7, 100381, 2019
Interaction of H₂O with the Platinum Pt (001), (011) and (111) Surfaces: A Density Functional Theory Study with Long-Range Dispersion Corrections
MJ Ungerer, D Santos-Carballal, A Cadi-Essadek, CGCE van Sittert, ...
The Journal of Physical Chemistry C, 2019
Ab initio investigation of the thermodynamics of cation distribution and of the electronic and magnetic structures in the LiMn₂O₄ spinel
D Santos-Carballal, PE Ngoepe, NH de Leeuw
Physical Review B 97 (8-15), 085126, 2018
CO₂ Interaction with Violarite (FeNi₂S₄) Surfaces: A Dispersion-Corrected DFT Study
S Posada-Pérez, D Santos-Carballal, U Terranova, A Roldan, F Illas, ...
Physical Chemistry Chemical Physics 20 (31), 20439-20446, 2018
Tailoring the selectivity of ultralow-power heterojunction gas sensors by noble metal nanoparticle functionalization
O Lupan, N Ababii, D Santos-Carballal, MI Terasa, N Magariu, D Zappa, ...
Nano Energy, 2021
TiO₂/Cu₂O/CuO Multi-Nanolayers as Sensors for H₂ and Volatile Organic Compounds: An Experimental and Theoretical Investigation
O Lupan, D Santos-Carballal, N Ababii, N Magariu, S Hansen, A Vahl, ...
ACS Applied Materials & Interfaces 13 (27), 32363–32380, 2021
Competitive adsorption geometries for the arsenate As (V) and phosphate P (V) oxyanions on magnetite surfaces: Experiments and theory
X Liang, X Lin, G Wei, L Ma, H He, D Santos-Carballal, J Zhu, R Zhu, ...
American Mineralogist 106 (3), 374-388, 2021
Atomistic molecular dynamics simulations of propofol and fentanyl in phosphatidylcholine lipid bilayers
C Faulkner, D Santos-Carballal, DF Plant, NH de Leeuw
ACS Omega 5 (24), 14340-14353, 2020
A NIR-II-emitting gold nanocluster-based drug delivery system for smartphone-triggered photodynamic theranostics with rapid body clearance
Y Kong, D Santos-Carballal, D Martin, NN Sergeeva, W Wang, G Liu, ...
Materials Today 51, 96-107, 2021
Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li₁₋ ₓMn₂O₄ spinel (0.000 < x < 0.375): a DFT+ U-D3 study
B Ramogayana, D Santos-Carballal, PAA Sanchez, M Quesne, ...
Physical Chemistry Chemical Physics, 2020
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