Nanomaterials have become increasingly important both in basic research and in applications [...].

Central European Institute of Technology CEITEC MU Masaryk University Kamenice 5 CZ 625 00 Brno Czech Republic

Department of Chemistry Faculty of Science Masaryk University Kotlářská 2 CZ 611 37 Brno Czech Republic

Institute of Physics of Materials v v i Czech Academy of Sciences Žižkova 22 CZ 616 62 Brno Czech Republic

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Liang Q., Nie X., Du W., Zhang P., Wan L., Ahuja R., Ping J., Qian Z. First-Principles Exploration of Hazardous Gas Molecule Adsorption on Pure and Modified Al60N60 Nanoclusters. Nanomaterials. 2020;10:2156. doi: 10.3390/nano10112156. PubMed DOI PMC

Šebesta J., Carva K., Kriegner D., Honolka J. Twin Domain Structure in Magnetically Doped Bi2Se3 Topological Insulator. Nanomaterials. 2020;10:2059. doi: 10.3390/nano10102059. PubMed DOI PMC

Rashid M.A.M., Hayati D., Kwak K., Hong J. Theoretical Investigation of Azobenzene-Based Photochromic Dyes for Dye-Sensitized Solar Cells. Nanomaterials. 2020;10:914. doi: 10.3390/nano10050914. PubMed DOI PMC

Polsterová S., Friák M., Všianská M., Šob M. Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles. Nanomaterials. 2020;10:767. doi: 10.3390/nano10040767. PubMed DOI PMC

Holec D., Dumitraschkewitz P., Vollath D., Fischer F.D. Surface Energy of Au Nanoparticles Depending on Their Size and Shape. Nanomaterials. 2020;10:484. doi: 10.3390/nano10030484. PubMed DOI PMC

Shimada T., Minaguro K., Xu T., Wang J., Kitamura T. Ab Initio Study of Ferroelectric Critical Size of SnTe Low-Dimensional Nanostructures. Nanomaterials. 2020;10:732. doi: 10.3390/nano10040732. PubMed DOI PMC

Mazalová M., Všianská M., Pavlů J., Šob M. The Effect of Vacancies on Grain Boundary Segregation in Ferromagnetic fcc Ni. Nanomaterials. 2020;10:691. doi: 10.3390/nano10040691. PubMed DOI PMC

Sun X., Zhang H., Li W., Ding X., Wang Y., Vitos L. Generalized Stacking Fault Energy of Al-Doped CrMnFeCoNi High-Entropy Alloy. Nanomaterials. 2020;10:59. doi: 10.3390/nano10010059. PubMed DOI PMC

Yun R., Luo L., He J., Wang J., Li X., Zhao W., Nie Z., Lin Z. Mixed-Solvent Polarity-Assisted Phase Transition of Cesium Lead Halide Perovskite Nanocrystals with Improved Stability at Room Temperature. Nanomaterials. 2019;9:1537. doi: 10.3390/nano9111537. PubMed DOI PMC

Nie X., Qian Z., Du W., Lu Z., Li H., Ahuja R., Liu X. Structural Evolution of AlN Nanoclusters and the Elemental Chemisorption Characteristics: Atomistic Insight. Nanomaterials. 2019;9:1420. doi: 10.3390/nano9101420. PubMed DOI PMC

Zhang L., Yu Y., Xiang M. A Study of the Shock Sensitivity of Energetic Single Crystals by Large-Scale Ab Initio Molecular Dynamics Simulations. Nanomaterials. 2019;9:1251. doi: 10.3390/nano9091251. PubMed DOI PMC