Energetic Stability of Free-standing and Metal-Supported Borophenes: Quantum Monte Carlo and Density Functional Theory Calculations

التفاصيل البيبلوغرافية
العنوان: Energetic Stability of Free-standing and Metal-Supported Borophenes: Quantum Monte Carlo and Density Functional Theory Calculations
المؤلفون: Anouar Benali, Jeonghwan Ahn, Hyeondeok Shin, Gwangyoung Lee, Yongkyung Kwon, Iuegyun Hong
المصدر: The Journal of Physical Chemistry C. 124:24420-24428
بيانات النشر: American Chemical Society (ACS), 2020.
سنة النشر: 2020
مصطلحات موضوعية: Condensed Matter::Quantum Gases, Materials science, Quantum Monte Carlo, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Metal, General Energy, chemistry, Chemical physics, visual_art, Physics::Atomic and Molecular Clusters, visual_art.visual_art_medium, Cohesion (chemistry), Condensed Matter::Strongly Correlated Electrons, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology, Boron
الوصف: Quantum Monte Carlo (QMC) and density-functional theory (DFT) calculations were carried out to study cohesion energetics of two-dimensional (2D) sheets of boron atoms called borophenes. Our QMC cal...
تدمد: 1932-7455
1932-7447
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2dbfa1540809605fe78882253b44b495
https://doi.org/10.1021/acs.jpcc.0c06883
حقوق: CLOSED
رقم الأكسشن: edsair.doi...........2dbfa1540809605fe78882253b44b495
قاعدة البيانات: OpenAIRE