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D

David Santos-Carballal

Cardiff University

H指数:21

被引数:1,552

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Structures, electronic properties, and delithiation thermodynamics of the heteroepitaxial α-Al2O3//LiMn2O4 (001) and (111) interfaces

SURFACES AND INTERFACES

IF6.3

2024-05-010

OAAI

Cation doping and oxygen vacancies in the orthorhombic FeNbO4 material for solid oxide fuel cell applications: A density functional theory study

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-04-180

OA

Experimental and theoretical studies of the mechanism of oxidation of arsenopyrite in the presence of hydrogen peroxide

过氧化氢存在下毒砂氧化机理的实验和理论研究

APPLIED SURFACE SCIENCE

IF6.9

2023-11-012

OAAI

Exploring the Redox Properties of the Low-Miller Index Surfaces of Copper Tungstate (CuWO4): Evaluating the Impact of the Environmental Conditions on the Water Splitting and Carbon Dioxide Reduction Processes

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-09-153

OAAI

Single-atom catalysis for carbon dioxide dissociation using greigite- supported M1/Fe3S4(111) (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) under electrostatic fields

JOURNAL OF CATALYSIS

IF6.5

2023-09-010

OAAI

Development of 2-in-1 Sensors for the Safety Assessment of Lithium-Ion Batteries via Early Detection of Vapors Produced by Electrolyte Solvents

通过早期检测电解质溶剂产生的蒸气来开发用于锂离子电池安全评估的二合1传感器

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2023-05-266

OAAI

Al2O3/ZnO composite-based sensors for battery safety applications: An experimental and theoretical investigation

用于电池安全应用的基于Al2O3/ZnO复合材料的传感器: 实验和理论研究

IF17.1

2023-05-0113

OAAI

A DFT plus U-D3 Study of the Adsorption of Hydrogen Fluoride and Ethylene Carbonate on the Niobium-Doped (001), (011), and (111) Surfaces of Lithium Manganese Oxide

JOURNAL OF THE ELECTROCHEMICAL SOCIETY

IF3.3

2022-09-010

PRE

Al2O3/ZnO Heterostructure-Based Sensors for Volatile Organic Compounds in Safety Applications

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2022-06-1520

OA

Density Functional Theory Study of Monoclinic FeNbO4: Bulk Properties and Water Dissociation at the (010), (011), (110), and (111) Surfaces

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-12-099

OA

Density Functional Theory Study of Ethylene Carbonate Adsorption on the (0001) Surface of Aluminum Oxide α-Al2O3

IF4.3

2021-10-2912

OAAI

Tailoring the selectivity of ultralow-power heterojunction gas sensors by noble metal nanoparticle functionalization

通过贵金属纳米粒子功能化定制超低功耗异质结气体传感器的选择性

IF17.1

2021-10-0131

OAAI

TiO2/Cu2O/CuO Multi-Nanolayers as Sensors for H2 and Volatile Organic Compounds: An Experimental and Theoretical Investigation

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2021-07-0539

OAAI

Catalytic Conversion of CO and H2 into Hydrocarbons on the Cobalt Co(111) Surface: Implications for the Fischer-Tropsch Process

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2021-05-2818

OAAI

CO2 reduction to acetic acid on the greigite Fe3S4{111} surface

FARADAY DISCUSSIONS

IF3.1

2021-01-0112

OAAI

Theory: general discussion

FARADAY DISCUSSIONS

IF3.1

2021-01-010

PREAI

Anand, Megha; Baletto, Francesca; Bugaev, Aram; Catlow, Richard; Claeys, Michael; Conway, Matthew; Davidson, Matthew; Davies, Philip; de Leeuw, Nora; Eremin, Dmitry; Fischer, Nico; Hargreaves, Justin; Hutchings, Graham; Iyer, Jayendran; Jain, Disha; Jameel, Froze; Kamali, Ali Reza; Kondrat, Simon; Kowalec, Igor; Kraus, Peter; Reece, Christian; Reocreux, Romain; Santos-Carballal, David; Seavill, Peter W.; Shozi, Mzamo; Sinev, Mikhail; Sinha, Vivek; Stamatakis, Michail; Uner, Deniz; Vojvodic, Aleksandra; Whiston, Keith; Willock, David; Wolf, Moritz; Yang, Bo; Zhu, Beien

The role of surface oxidation and Fe-Ni synergy in Fe-Ni-S catalysts for CO2 hydrogenation

FARADAY DISCUSSIONS

IF3.1

2021-01-0122

OA

Controlling the Lithium Intercalation Voltage in the Li(Mn1-xNix)2O4 Spinel via Tuning of the Ni Concentration: a Density Functional Theory Study

SOUTH AFRICAN JOURNAL OF CHEMISTRY-SUID-AFRIKAANSE TYDSKRIF VIR CHEMIE

IF1

2021-01-010

OA

Atomistic Molecular Dynamics Simulations of Propofol and Fentanyl in Phosphatidylcholine Lipid Bilayers

IF4.3

2020-06-1215

OAAI

Interaction of SO2 with the Platinum (001), (011), and (111) Surfaces: A DFT Study

IF4

2020-05-1812

OAAI