受强制性开放获取政策约束的文章 - Ricardo Grau-Crespo了解详情
无法在其他位置公开访问的文章:1 篇
Understanding the specific heat enhancement in metal-containing nanofluids for thermal energy storage: experimental and ab-initio evidence for a strong interfacial layering effect
I Carrillo-Berdugo, SD Midgley, R Grau-Crespo, D Zorrilla, J Navas
ACS Applied Energy Materials 3 (9), 9246–9256, 2020
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, Government of Spain
可在其他位置公开访问的文章:64 篇
Operando spectroscopy study of the carbon dioxide electro-reduction by iron species on nitrogen-doped carbon
C Genovese, ME Schuster, EK Gibson, D Gianolio, V Posligua, ...
Nature Communications 9 (1), 935, 2018
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, UK Science and …
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
强制性开放获取政策: UK Engineering and Physical Sciences Research Council
Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: band gap tuning via iron substitutions
A Aziz, AR Ruiz-Salvador, NC Hernández, S Calero, S Hamad, ...
Journal of Materials Chemistry A 5 (23), 11894-11904, 2017
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, European Commission …
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, 195106, 2015
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, UK Science and …
Linking in-situ charge accumulation to electronic structure in doped SrTiO3 reveals design principles for hydrogen evolving photocatalysts
B Moss, Q Wang, K Butler, R Grau-Crespo, S Selim, A Regoutz, ...
Nature Materials 20, 511-517, 2021
强制性开放获取政策: Natural Sciences and Engineering Research Council of Canada, UK Engineering …
Modelling a linker mix‐and‐match approach for controlling the optical excitation gaps and band alignment of zeolitic imidazolate frameworks
R Grau‐Crespo, A Aziz, AW Collins, R Crespo‐Otero, NC Hernández, ...
Angewandte Chemie 128 (52), 16246-16250, 2016
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, European Commission
Electronic structure of porphyrin-based metal-organic frameworks and their suitability for solar fuel production photocatalysis
S Hamad, NC Hernandez, A Aziz, AR Ruiz-Salvador, S Calero, ...
Journal of Materials Chemistry A 3, 23458-23465, 2015
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, European Commission …
Importance of anisotropic Coulomb interaction in LaMnO3
TA Mellan, F Cora, R Grau-Crespo, S Ismail-Beigi
Physical Review B 92, 085151, 2015
强制性开放获取政策: UK Engineering and Physical Sciences Research Council
The Interplay of Metal-Atom Ordering, Fermi Level Tuning and Thermoelectric Properties in Cobalt Shandites Co3M2S2 (M = Sn, In)
J Corps, P Vaqueiro, A Aziz, R Grau-Crespo, W Kockelmann, JC Jumas, ...
Chemistry of Materials 27 (11), 3946–3956, 2015
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, UK Science and …
Interfacial molecular layering enhances specific heat of nanofluids: Evidence from molecular dynamics
I Carrillo-Berdugo, R Grau-Crespo, D Zorrilla, J Navas
Journal of Molecular Liquids 325, 115217, 2021
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, Government of Spain
Charting the Lattice Thermal Conductivities of I–III–VI2 Chalcopyrite Semiconductors
JJ Plata, V Posligua, AM Márquez, J Fernandez Sanz, R Grau-Crespo
Chemistry of Materials 34, 2833–2841, 2022
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, Government of Spain
Engineering the electronic bandgaps and band edge positions in carbon-substituted 2D boron nitride: a first-principles investigation
SN Shirodkar, UV Waghmare, TS Fisher, R Grau-Crespo
Physical Chemistry Chemical Physics 17 (20), 13547-13552, 2015
强制性开放获取政策: Department of Science & Technology, India, UK Engineering and Physical …
Crystal structure generation with autoregressive large language modeling
LM Antunes, KT Butler, R Grau-Crespo
Nature Communications 15, 10570, 2024
强制性开放获取政策: UK Engineering and Physical Sciences Research Council
Ensemble-Based Modeling of the NMR Spectra of Solid Solutions: Cation Disorder in Y2(Sn,Ti)2O7
RF Moran, D McKay, PC Tornstrom, A Aziz, A Fernandes, R Grau-Crespo, ...
Journal of the American Chemical Society 141 (44), 17838-17846, 2019
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, European Commission …
Band Structures of Periodic Porphyrin Nanostructures
V Posligua, A Aziz, R Haver, MD Peeks, HL Anderson, R Grau-Crespo
The Journal of Physical Chemistry C 122, 23790−23798, 2018
强制性开放获取政策: European Commission
Origin of the transition entropy in vanadium dioxide
TA Mellan, H Wang, U Schwingenschlögl, R Grau-Crespo
Physical Review B 99 (6), 064113, 2019
强制性开放获取政策: UK Engineering and Physical Sciences Research Council
Novel WS2-based nanofluids for concentrating solar power: performance characterization and molecular-level insights
P Martínez-Merino, S Midgley, EI Martín, P Estellé, R Alcántara, ...
ACS Applied Materials & Interfaces 12 (5), 5793-5804, 2020
强制性开放获取政策: UK Engineering and Physical Sciences Research Council, Government of Spain
Cobalt incorporation in calcite: Thermochemistry of (Ca,Co)CO3 solid solutions from density functional theory simulations
J González-López, SE Ruiz-Hernández, Á Fernández-González, ...
Geochimica et Cosmochimica Acta 142, 205-216, 2014
强制性开放获取政策: Government of Spain
Understanding the origin of disorder in kesterite-type chalcogenides A 2 ZnBQ 4 (A= Cu, Ag; B= Sn, Ge; Q= S, Se): The influence of inter-layer interactions
P Mangelis, A Aziz, I Da Silva, R Grau-Crespo, P Vaqueiro, AV Powell
Physical Chemistry Chemical Physics 21 (35), 19311-19317, 2019
强制性开放获取政策: UK Engineering and Physical Sciences Research Council
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