Computational Quantum Physics and Chemistry of Nanomaterials

• Autore: Šob Mojmír
• Pubblicazione: Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021
• Descrizione fisica: 1 electronic resource (198 p.)
• Soggetto topico: Research & information: general
• Soggetto non controllato: BTF; TATB; CL-20; cocrystal; energetic materials; shock sensitivity; large-scale ab initio molecular dynamics simulations; AlN; low-dimensional material; atomic cluster; electronic structure; HSE06 hybrid functional; CsPbBr3; CsPb2Br5; solvent polarity; CTAB; phase transition; high-entropy alloys; generalized stacking fault energy; first-principles; interfacial energy; surface energy; nanoparticles; gold; ab initio; molecular mechanics; fcc Ni; tilt Σ5(210) grain boundary; vacancy; Si and Al impurity; grain boundary energy; segregation energy; defects binding energies; magnetism; ferroelectricity; SnTe; nanoribbon; nanoflakes; critical size; density-functional theory; thermodynamics; silver; decahedron; excess energy; ab initio calculations; dye-sensitized solar cells; azobenzene; density functional theory; topological insulators; magnetic doping; defects; environment and health; first-principles physics; DFT; hazardous gas
• Persona (resp. second.): ŠobMojmír
• Sommario/riassunto: This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field
• Titolo autorizzato: Computational Quantum Physics and Chemistry of Nanomaterials
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910557583503321
• Lo trovi qui: Univ. Federico II