متابعة
Victor Posligua
Victor Posligua
Research Fellow - Institute for Functional Intelligent Materials, National University of Singapore
بريد إلكتروني تم التحقق منه على nus.edu.sg
عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
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
452022
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
132023
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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مقالات 1–20