| Density functional theory study explaining the underperformance of copper oxides as photovoltaic absorbers A Živković, A Roldan, NH De Leeuw Physical Review B 99 (3), 035154, 2019 | 53 | 2019 |
| Exploring the formation of intrinsic -type and -type defects in CuO A Živković, NH de Leeuw Physical Review Materials 4 (7), 074606, 2020 | 31 | 2020 |
| Tuning the electronic band gap of via transition metal doping for improved photovoltaic applications A Živković, A Roldan, NH de Leeuw Physical Review Materials 3 (11), 115202, 2019 | 25 | 2019 |
| Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures T Amakali, A Živković, MEA Warwick, DR Jones, CW Dunnill, LS Daniel, ... Frontiers in Chemistry 10, 835832, 2022 | 17 | 2022 |
| Arc synthesis, crystal structure, and photoelectrochemistry of copper (I) tungstate M Tayar Galante, A Živković, JC Alvim, CC Calchi Kleiner, M Sangali, ... ACS applied materials & interfaces 13 (28), 32865-32875, 2021 | 16 | 2021 |
| Magnetic structure and exchange interactions in pyrrhotite end member minerals: hexagonal FeS and monoclinic Fe7S8 A Živković, HE King, M Wolthers, NH De Leeuw Journal of Physics: Condensed Matter 33 (46), 465801, 2021 | 12 | 2021 |
| Electronic excitations in copper oxides: Time-dependent density functional theory calculations with a self-consistent hybrid kernel A Živković, NH de Leeuw, BG Searle, L Bernasconi The Journal of Physical Chemistry C 124 (45), 24995-25003, 2020 | 12 | 2020 |
| Solution-processed Cd-substituted CZTS nanocrystals for sensitized liquid junction solar cells SR Rondiya, YA Jadhav, A Živković, SB Jathar, GK Rahane, RW Cross, ... Journal of Alloys and Compounds 890, 161575, 2022 | 9 | 2022 |
| Changes in CO2 Adsorption Affinity Related to Ni Doping in FeS Surfaces: A DFT-D3 Study A Živković, M Somers, E Camprubi, HE King, M Wolthers, NH de Leeuw Catalysts 11 (4), 486, 2021 | 9 | 2021 |
| Structural and electronic properties of Cu4O3 (paramelaconite): the role of native impurities A Živković, J Sheehama, MEA Warwick, DR Jones, C Mitchel, D Likius, ... Pure and Applied Chemistry 93 (10), 1229-1244, 2021 | 8 | 2021 |
| First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications A Živković, B Farkaš, V Uahengo, NH De Leeuw, NY Dzade Journal of Physics: Condensed Matter 31 (26), 265501, 2019 | 8 | 2019 |
| Designing new catalysts for synthetic fuels: general discussion K Holt, L Jewell, H Niemantsverdriet, L Macheli, M Shozi, G Hutchings, ... Faraday Discussions 197, 353-388, 2017 | 6 | 2017 |
| Mind the Interface Gap: Exposing Hidden Interface Defects at the Epitaxial Heterostructure between CuO and Cu2O A Živković, G Mallia, HE King, NH De Leeuw, NM Harrison ACS applied materials & interfaces 14 (50), 56331, 2022 | 5 | 2022 |
| Mind the Interface Gap: Exposing Hidden Interface Defects at the Epitaxial Heterostructure between CuO and Cu2O A Živković, G Mallia, HE King, NH de Leeuw, NM Harrison ACS Applied Materials & Interfaces 14 (50), 56331-56343, 2022 | 4 | 2022 |
| Charge dynamics of a CuO thin film on picosecond to microsecond timescales revealed by transient absorption spectroscopy M Asadinamin, A Zivkovic, S Ullrich, H Meyer, Y Zhao ACS Applied Materials & Interfaces 15 (14), 18414-18426, 2023 | 3 | 2023 |
| Ferroelastic nature of high pressure phase transition in MgF2 A Živković, I Lukačević Journal of alloys and compounds 682, 839-843, 2016 | 3 | 2016 |
| Fabrication of ZnO Scaffolded CdS Nanostructured Photoanodes with Enhanced Photoelectrochemical Water Splitting Activity under Visible Light A Rokade, GK Rahane, A Živković, SN Rahane, HS Tarkas, K Hareesh, ... Langmuir 40 (13), 6884-6897, 2024 | 2 | 2024 |
| Identifying surface phonons in the vibrational spectra of carbonated apatite using density functional theory A Živković, D Gemeri, H Bahmann, I Lukačević, HE King Materials today communications 36, 106596, 2023 | 2 | 2023 |
| Density functional theory demonstrates orientation effects in the Raman spectra of hydroxy‐and carbonated apatite D Gemeri, A Živković, I Lukačević, H Bahmann, HE King Journal of Raman spectroscopy 54 (2), 159-170, 2023 | 2 | 2023 |
| Insights from density functional theory calculations into the effects of the adsorption and dissociation of water on the surface properties of zinc diphosphide (ZnP 2) nanocrystals B Farkaš, A Živković, V Uahengo, NY Dzade, NH De Leeuw Physical Chemistry Chemical Physics 23 (46), 26482-26493, 2021 | 2 | 2021 |
NH de LeeuwProfessor of Computational Chemistry, University of Leeds, UK; Utrecht University, The Netherlands在 leeds.ac.uk 的电子邮件经过验证
