| Yazarlar (6) |
Taylan Görkan
Türkiye |
|
Yelda Kadıoğlu
Aydın Adnan Menderes Üniversitesi, Türkiye |
|
Olcay Üzengi Aktürk
Aydın Adnan Menderes Üniversitesi, Türkiye |
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye |
|
Ethem Aktürk
Aydın Adnan Menderes Üniversitesi, Türkiye |
|
Salim Çıracı
İhsan Doğramacı Bilkent Üniversitesi, Türkiye |
| Özet |
| We investigated the rotational and translational dynamics of hydrogen-passivated, black phosphorene and blue phosphorene nanoflakes of diverse size and geometry anchored to graphene, black phosphorene, blue phosphorene, and MoS2 monolayer substrates. The optimized attractive interaction energy between each nanoflake and monolayer substrates are harmonic for small angular displacements, leading to libration frequencies. We showed that the relevant dynamical parameters and resulting libration frequencies, which vary with the size/geometry of nanoflakes, as well as with the type of substrate, can be monitored by charging, external electric field, pressure, and also by a molecule anchored to the flake. The optimized energy profiles and energy barriers thereof have been calculated in translational and in large angle rotational dynamics. Owing to the weak interaction between the flakes and monolayers the energy barriers are particularly small for incommensurate systems and can renders nearly frictionless rotation and translation, which is crucial for nanoscale mechanics. Even if small for particular combined nanoflake + monolayer heterostructures, the energy band gaps exhibit variations with angular and linear displacements of nanoflakes. However, these band gaps undergo considerable reduction under pressure. With tunable dynamics, electronic structure, and low friction coefficients, individual or periodically repeating nanoflakes on a monolayer substrate constitute critical composite structures offering the design of novel detectors, nanomechanical, electromechanical, and electronic devices. |
| Anahtar Kelimeler |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | JOURNAL OF PHYSICAL CHEMISTRY C |
| Dergi ISSN | 1932-7447 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 12-2019 |
| Cilt No | 123 |
| Sayı | 50 |
| Sayfalar | 30704 / 30713 |
| Doi Numarası | 10.1021/acs.jpcc.9b09135 |
| Makale Linki | https://pubs.acs.org/doi/10.1021/acs.jpcc.9b09135 |
| Atıf Sayıları | |
| WoS | 2 |
| SCOPUS | 2 |
| Google Scholar | 2 |
