Ricardo Grau-Crespo

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 24

Top Venues

The journal of physical chemistry. B

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Chemical science

University of Reading

Birkbeck University of London (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Reading

United Kingdom

Associate Professor :: Chemistry

University of Reading

United Kingdom

Lecturer :: Chemistry

University College London

United Kingdom

Lecturer :: Chemistry

University College London

United Kingdom

Postdoctoral Researcher :: Chemistry

Centre for Oil Reasearch (CEINPET)

Cuba

Researcher :: Catalysis Unit

Education History

Birkbeck University of London

United Kingdom

PHD :: Department of Crystallography

University of Havana

Cuba

MSC :: Faculty of Physics

Publications

Ekaterina Gousseva, Frances K Towers Tompkins, Jake M Seymour, Lewis G Parker, Coby J Clarke, Robert G Palgrave, Roger A Bennett, Ricardo Grau-Crespo, Kevin R J Lovelock
Anion-Dependent Strength Scale of Interactions in Ionic Liquids from X-ray Photoelectron Spectroscopy, Ab Initio Molecular Dynamics, and Density Functional Theory. The journal of physical chemistry. B 128 (20) (2024)
Ekaterina Gousseva, Frances K Towers Tompkins, Jake M Seymour, Lewis G Parker, Coby J Clarke, Robert G Palgrave, Roger A Bennett, Ricardo Grau-Crespo, Kevin R J Lovelock
Anion-Dependent Strength Scale of Interactions in Ionic Liquids from X-ray Photoelectron Spectroscopy, Ab Initio Molecular Dynamics, and Density Functional Theory. The journal of physical chemistry. B 128 (20) (2024)
Ekaterina Gousseva, Frances K Towers Tompkins, Jake M Seymour, Lewis G Parker, Coby J Clarke, Robert G Palgrave, Roger A Bennett, Ricardo Grau-Crespo, Kevin R J Lovelock
Anion-Dependent Strength Scale of Interactions in Ionic Liquids from X-ray Photoelectron Spectroscopy, Ab Initio Molecular Dynamics, and Density Functional Theory. The journal of physical chemistry. B (2024)
Ekaterina Gousseva, Frances K Towers Tompkins, Jake M Seymour, Lewis G Parker, Coby J Clarke, Robert G Palgrave, Roger A Bennett, Ricardo Grau-Crespo, Kevin R J Lovelock
Anion-Dependent Strength Scale of Interactions in Ionic Liquids from X-ray Photoelectron Spectroscopy, Ab Initio Molecular Dynamics, and Density Functional Theory. The journal of physical chemistry. B 128 (20) (2024)
Victor Posligua, Jose J Plata, Antonio M Márquez, Javier Fernández Sanz, Ricardo Grau-Crespo
Theoretical Investigation of the Lattice Thermal Conductivities of II-IV-V 2 Pnictide Semiconductors. ACS applied electronic materials 6 (5) (2023)
Victor Posligua, Jose J Plata, Antonio M Márquez, Javier Fernández Sanz, Ricardo Grau-Crespo
Theoretical Investigation of the Lattice Thermal Conductivities of II-IV-V 2 Pnictide Semiconductors. ACS applied electronic materials 6 (5) (2023)
Vasileios Fotopoulos, Ricardo Grau-Crespo, Alexander L Shluger
Thermodynamic analysis of the interaction between metal vacancies and hydrogen in bulk Cu. Physical chemistry chemical physics : PCCP (2023)
Alejandro Garrote-Márquez, Lucas Lodeiro, Rahul Suresh, Norge Cruz Hernandez, Ricardo Grau-Crespo, Eduardo Menéndez-Proupin
Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (32) (2023)
Sahil Tippireddy, Feridoon Azough, Vikram Vikram, Frances Towers Tompkins, Animesh Bhui, Robert Freer, Ricardo Grau-Crespo, Kanishka Biswas, Paz Vaqueiro, Anthony V Powell
Tin-Substituted Chalcopyrite: An n -Type Sulfide with Enhanced Thermoelectric Performance. Chemistry of materials : a publication of the American Chemical Society 34 (13) (2022)
Ekaterina Gousseva, Scott D Midgley, Jake M Seymour, Robert Seidel, Ricardo Grau-Crespo, Kevin R J Lovelock
Understanding X-ray Photoelectron Spectra of Ionic Liquids: Experiments and Simulations of 1-Butyl-3-methylimidazolium Thiocyanate. The journal of physical chemistry. B (2022)
Scott D Midgley, Said Hamad, Keith T Butler, Ricardo Grau-Crespo
Bandgap Engineering in the Configurational Space of Solid Solutions via Machine Learning: (Mg,Zn)O Case Study. The journal of physical chemistry letters 12 (21) (2021)
Alex J Tanner, Bo Wen, Jorge Ontaneda, Yu Zhang, Ricardo Grau-Crespo, Helen H Fielding, Annabella Selloni, Geoff Thornton
Polaron-Adsorbate Coupling at the TiO2(110)-Carboxylate Interface. The journal of physical chemistry letters 12 (14) (2021)
Benjamin Moss, Qian Wang, Keith T Butler, Ricardo Grau-Crespo, Shababa Selim, Anna Regoutz, Takashi Hisatomi, Robert Godin, David J Payne, Andreas G Kafizas, Kazunari Domen, Ludmilla Steier, James R Durrant
Linking in situ charge accumulation to electronic structure in doped SrTiO3 reveals design principles for hydrogen-evolving photocatalysts. Nature materials 20 (4) (2021)
Stefan Burger, Shivani Grover, Keith T Butler, Hanna L B Boström, Ricardo Grau-Crespo, Gregor Kieslich
Tilt and shift polymorphism in molecular perovskites. Materials horizons 8 (9) (2021)
Scott D Midgley, Devis Di Tommaso, Dominik Fleitmann, Ricardo Grau-Crespo
Sulfate and Molybdate Incorporation at the Calcite-Water Interface: Insights from Ab Initio Molecular Dynamics. ACS earth & space chemistry 5 (8) (2021)
Wilson Quevedo, Jorge Ontaneda, Alexander Large, Jake M Seymour, Roger A Bennett, Ricardo Grau-Crespo, Georg Held
Adsorption of Aspartic Acid on Ni{100}: A Combined Experimental and Theoretical Study. Langmuir : the ACS journal of surfaces and colloids 36 (32) (2020)
Paloma Martínez-Merino, Scott D Midgley, Elisa I Martín, Patrice Estellé, Rodrigo Alcántara, Antonio Sánchez-Coronilla, Ricardo Grau-Crespo, Javier Navas
Novel WS2-Based Nanofluids for Concentrating Solar Power: Performance Characterization and Molecular-Level Insights. ACS applied materials & interfaces 12 (5) (2020)
Victor Posligua, Joana Bustamante, Cesar H Zambrano, Peter J F Harris, Ricardo Grau-Crespo
The closed-edge structure of graphite and the effect of electrostatic charging. RSC advances 10 (13) (2020)
Marcus Knappert, Tianqi Jin, Scott D Midgley, Guanglu Wu, Oren A Scherman, Ricardo Grau-Crespo, Howard M Colquhoun
Single-site binding of pyrene to poly(ester-imide)s incorporating long spacer-units: prediction of NMR resonance-patterns from a fractal model. Chemical science 11 (44) (2020)
Panagiotis Mangelis, Alex Aziz, Fabian Hesse, Ricardo Grau-Crespo, Paz Vaqueiro, Anthony V Powell
Understanding the origin of disorder in kesterite-type chalcogenides A2ZnBQ4 (A = Cu, Ag; B = Sn, Ge; Q = S, Se): the influence of inter-layer interactions. Physical chemistry chemical physics : PCCP 21 (35) (2019)
Robert F Moran, David McKay, Paulynne C Tornstrom, Alex Aziz, Arantxa Fernandes, Ricardo Grau-Crespo, Sharon E Ashbrook
Ensemble-Based Modeling of the NMR Spectra of Solid Solutions: Cation Disorder in Y2(Sn,Ti)2O7. Journal of the American Chemical Society 141 (44) (2019)
Chiara Genovese, Manfred E Schuster, Emma K Gibson, Diego Gianolio, Victor Posligua, Ricardo Grau-Crespo, Giannantonio Cibin, Peter P Wells, Debi Garai, Vladyslav Solokha, Sandra Krick Calderon, Juan J Velasco-Velez, Claudio Ampelli, Siglinda Perathoner, Georg Held, Gabriele Centi, Rosa Arrigo
Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon. Nature communications 9 (1) (2018)
John S Shaw, Rajendran Vaiyapuri, Matthew P Parker, Claire A Murray, Kate J C Lim, Cong Pan, Marcus Knappert, Christine J Cardin, Barnaby W Greenland, Ricardo Grau-Crespo, Howard M Colquhoun
Elements of fractal geometry in the 1H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set. Chemical science 9 (17) (2018)
Ricardo Grau-Crespo, Alex Aziz, Angus W Collins, Rachel Crespo-Otero, Norge C Hernández, L Marleny Rodriguez-Albelo, A Rabdel Ruiz-Salvador, Sofia Calero, Said Hamad
Modelling a Linker Mix-and-Match Approach for Controlling the Optical Excitation Gaps and Band Alignment of Zeolitic Imidazolate Frameworks. Angewandte Chemie (International ed. in English) 55 (52) (2016)

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Publication Activity (10 Years)

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Ricardo Grau-Crespo