Theory - 2024 year publications

8. C. Zhang, M. Andrade, Z. Goldsmith, A. Raman, Y. Li, P. Piaggi, X. Wu, R. Car and A. Selloni
Nature Communications 15, 10270 (2024)
Molecular-scale insights into the electrical double layer at oxide-electrolyte interfaces

7. I. Lebedeva, S. Vyrko, A. Sinitsa, S. Ratkevich, A. Popov, A. Knizhnik, N. Poklonski and Y. Lozovik
COMPUTATIONAL AND THEORETICAL CHEMISTRY 1241, 114913 (2024)
Magnetic and electronic properties of 1D hybrid nanoobjects composed of alternating polycyclic hydrocarbon regions and double carbon chains

6. D. Bennett, P. Aguado-Puente, E. Artacho and N. Bristowe
New Journal of Physics 26, 102001 (2024)
Pseudo-proper two-dimensional electron gas formation

5. D. Just, T. Wasiak, A. Dzienia, K. Milowska, A. Mielanczyk and D. Janas
Nanoscale Horizons 9, 2349 (2024)
Explicating conjugated polymer extraction used for the differentiation of single-walled carbon nanotubes

4. H. Gergeroglu, M. Ebeoglugil, S. Bayrak, D. Aksu and Y. Azar
Materials Today Chemistry 39, 102175 (2024)
Systematic investigation and controlled synthesis of Ag/Ti co-doped hydroxyapatite for bone tissue engineering

3. A. Dzienia, D. Just, T. Wasiak, K. Milowska, A. Mielanczyk, N. Labedzki, S. Kruss and D. Janas
Advanced Science 11, (2024)
Size Matters in Conjugated Polymer Chirality-Selective SWCNT Extraction

2. M. Camarasa-Gómez, D. Hernangómez-Pérez and F. Evers
JOURNAL OF PHYSICAL CHEMISTRY LETTERS 15, 5747 (2024)
Spin-Orbit Torque in Single-Molecule Junctions from ab Initio

1. A. Ostovan, K. Milowska and C. García-Cervera
Nanoscale 16, 7504 (2024)
A twist for tunable electronic and thermal transport properties of nanodevices

Publications

Theses