Items where authors include "De Leeuw, N.H."

Article

Ungerer, M.J. and De Leeuw, N.H. (2025) Thermodynamics of Hydrogen Adsorption on Ruthenium fcc surfaces: A Density Functional Theory Study. Physical Chemistry Chemical Physics. ISSN 1463-9076

Živković, A., Terranova, U. and De Leeuw, N.H. orcid.org/0000-0002-8271-0545 (2025) Water Is Cool: Advanced Phonon Dynamics in Ice Ih and Ice XI via Machine Learning Potentials and Quantum Nuclear Vibrations. Journal of Chemical Theory and Computation. ISSN 1549-9618

Wang, X., Santos-Carballal, D. and De Leeuw, N.H. orcid.org/0000-0002-8271-0545 (2025) Dissociation of hydrogen and formation of water at the (010) and (111) surfaces of orthorhombic FeNbO4. ChemPhysChem. e202400781. ISSN 1439-4235

Askari, H., Shariatinia, Z., Tafreshi, S.S. et al. (1 more author) (2024) Spiro[fluorene-9,9'-xanthene] core comprising green imidazole-sulfonylurea moieties devised as excellent hole transport materials for perovskite solar cells. Inorganic Chemistry Communications, 169. 113103. ISSN 1387-7003

Chakraborty, B., Litra, D., Mishra, A.K. et al. (9 more authors) (2024) Ultra-selective hydrogen sensors based on CuO - ZnO hetero-structures grown by surface conversion. Journal of Alloys and Compounds, 1002. 175385. ISSN 0925-8388

Jouybar, S., Naji, L., Sarabadani Tafreshi, S. et al. (2 more authors) (2024) Density Functional Theory Study on Alkaline Earth-Based Titanate Perovskite Oxides: Unraveling Their Significance for Solar Cell Application. Journal of Physical Chemistry C. ISSN 1932-7447

Jouybar, S., Naji, L., Tafreshi, S.S. et al. (1 more author) (2024) A Density Functional Theory Study of the Physico-Chemical Properties of Alkali Metal Titanate Perovskites for Solar Cell Applications. Molecules, 29 (14). 3355. ISSN 1420-3049

Jouybar, S., Naji, L., Mozaffari, S.A. et al. (2 more authors) (2024) Electrochemically Engineered Lanthanum Nickelate as a Promising Transparent Hole-Transport Layer for Bulk Heterojunction Polymer Solar Cells: An Experimental and DFT Study. ACS Applied Energy Materials. ISSN 2574-0962

Askari, H., Shariatinia, Z., Sarabadani-Tafreshi, S. et al. (1 more author) (2024) Remarkable hole transport properties of Spiro[fluorene-9,9′-xanthene] derivatives containing natural amino acid substituents for perovskite photovoltaics. Solar Energy, 269. 112308. ISSN 0038-092X

Mulla, R., Živković, A., Warwick, M.E.A. et al. (3 more authors) (2023) High performance thermoelectrics from low-cost and abundant CuS/CuI composites. Journal of Materials Chemistry A. ISSN 2050-7488