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Victor Posligua
Victor Posligua
Research Fellow - Institute for Functional Intelligent Materials, National University of Singapore
Zweryfikowany adres z nus.edu.sg
Tytuł
Cytowane przez
Cytowane przez
Rok
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
2332018
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 (6), 2833-2841, 2022
462022
Into the unknown: how computation can help explore uncharted material space
AM Mroz, V Posligua, A Tarzia, EH Wolpert, KE Jelfs
Journal of the American Chemical Society 144 (41), 18730-18743, 2022
302022
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 (41), 23790-23798, 2018
292018
Orientational self-sorting in cuboctahedral Pd cages
RJ Li, A Tarzia, V Posligua, KE Jelfs, N Sanchez, A Marcus, A Baksi, ...
Chemical Science 13 (40), 11912-11917, 2022
242022
Engineering the electronic and optical properties of 2D porphyrin-paddlewheel metal-organic frameworks
V Posligua, D Pandya, A Aziz, M Rivera, R Crespo-Otero, S Hamad, ...
Journal of Physics: Energy 3 (3), 034005, 2021
172021
The closed-edge structure of graphite and the effect of electrostatic charging
V Posligua, J Bustamante, CH Zambrano, PJF Harris, R Grau-Crespo
RSC advances 10 (13), 7994-8001, 2020
162020
Non‐born–oppenheimer nuclear and electronic densities for a hooke‐coulomb model for a four‐particle system
M Becerra, V Posligua, EV Ludena
International Journal of Quantum Chemistry 113 (10), 1584-1590, 2013
162013
Harnessing the unusually strong improvement of thermoelectric performance of AgInTe 2 with nanostructuring
JJ Plata, EJ Blancas, AM Márquez, V Posligua, JF Sanz, R Grau-Crespo
Journal of Materials Chemistry A 11 (31), 16734-16742, 2023
142023
Emerging properties from mechanical tethering within a post-synthetically functionalised catenane scaffold
NH Pérez, PS Sherin, V Posligua, JL Greenfield, MJ Fuchter, KE Jelfs, ...
Chemical Science 13 (38), 11368-11375, 2022
102022
Theoretical Investigation of the Lattice Thermal Conductivities of II–IV–V2 Pnictide Semiconductors
V Posligua, JJ Plata, AM Márquez, JF Sanz, R Grau-Crespo
ACS Applied Electronic Materials 6 (5), 2951-2959, 2023
42023
Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials
AE Rosado-Miranda, V Posligua, JF Sanz, AM Márquez, P Nath, JJ Plata
ACS Applied Materials & Interfaces, 2024
32024
Theoretical evaluation of metal-functionalized rccc R-pyrogallol [4] arenes as media for molecular hydrogen storage
V Posligua, AS Urbina, L Rincon, JC Soetens, MA Mendez, CH Zambrano, ...
Computational and Theoretical Chemistry 1073, 75-83, 2015
32015
Photoinduced Local Symmetry Breakage in SrTiO3 and Potential Pathways to Ferroelectricity
ER Remesal, V Posligua, JJ Plata, AM Márquez
The Journal of Physical Chemistry C, 2025
2025
A Combined Experimental and Computational Exploration of Heteroleptic cis‐Pd2L2L’2 Coordination Cages through Geometric Complementarity
A Tarzia, W Shan, V Posligua, CJT Cox, L Male, BD Egleston, ...
Chemistry–A European Journal 31 (1), e202403336, 2025
2025
Enhancing the thermoelectric figure of merit of BiN via polymorphism, pressure, and nanostructuring
ER Remesal, V Posligua, M Mahillo-Paniagua, K Glazyrin, JF Sanz, ...
Journal of Materials Chemistry A 13 (1), 220-229, 2025
2025
Exploring Different Search Approaches to Discover Donor Molecules for Organic Solar Cells
M Azzouzi, S Bennett, V Posligua, R Bondesan, MA Zwijnenburg, KE Jelfs
arXiv preprint arXiv:2411.01900, 2024
2024
On-the-fly design principles based on high-throughput simulations and machine learning for the discovery of new thermoelectric materials
AE Rosado-Miranda, V Posligua
(No Title), 2024
2024
High-throughput and accurate prediction of the thermal and electron transport properties of large chemical spaces accelerated by machine learning
JJ Plata, AM Márquez, EJ Blancas, V Posligua, R Grau-Crespo, JF Sanz
Thermoelectrics, 2023
2023
Modelling the lattice thermal conductivity of skutterudites: ab-initio calculations, machine learning and more
ER Remesal, AM Márquez, EJ Blancas, V Posligua, JJ Plata, JF Sanz
Thermoelectrics, 2023
2023
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