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6 papers · 2 filters
Novel Potassium Polynitrides at High Pressures
Brad A. Steele, Ivan I. Oleynik
Polynitrogen compounds have attracted great interest due to their potential applications as high energy density materials. Most recently, a rich variety of alkali polynitrogens (R_…
A Torsional potential for graphene derived from fitting to DFT results
Georgios D. Chatzidakis, George Kalosakas, Zacharias G. Fthenakis +1
We present a simple torsional potential for graphene to accurately describe its out-of-plane deformations. The parameters of the potential are derived through appropriate fitting w…
Sequential Edge-Epitaxy in 2D Lateral Heterostructures
Prasana K. Sahoo, Shahriar Memaran, Yan Xin +2
Two-dimensional (2D) heterojunctions display a remarkable potential for application in high performance, low power electro-optical systems. p-n junctions based on vertically stacke…
Pentazole and Ammonium Pentazolate: Crystalline Hydro-Nitrogens at High Pressure
Brad A. Steele, Ivan I. Oleynik
Two new crystalline compounds, pentazole (N_{5}H) and ammonium pentazolate (NH_{4})(N_{5}), both featuring cyclo-{\rm N_{5}^{-}} are discovered using first principles evolutionary…
Large Thermal Motion in Halide Perovskites
T. A. Tyson, W. Gao, Y. -S. Chen +2
Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic…
Spatio-temporal Symmetry - Point Groups with Time Translations
Haricharan Padmanabhan, Maggie L. Kingsland, Jason M. Munro +2
Spatial symmetries occur in combination with temporal symmetries in a wide range of physical systems in nature, including time-periodic quantum systems typically described by the F…