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David Santos-Carballal
David Santos-Carballal
Research Fellow at the School of Chemistry, University of Leeds, United Kingdom
Verified email at leeds.ac.uk - Homepage
Title
Cited by
Cited by
Year
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
1802014
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
87*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
812015
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
612019
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
372018
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
37*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
332018
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
322016
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
292016
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
262020
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
262019
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
232019
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
222018
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
19*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
182021
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
152021
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
122021
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
122020
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
112021
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
11*2020
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