Enhancing the electronic and phonon transport properties of two-dimensional hexagonal boron nitride through oxygenation: A first principles study

Mobility driven thermoelectric and optical properties of two-dimensional halide-based hybrid perovskites: impact of organic cation rotation

“…The electrical conductivity relies on the relaxation time, which is constant under the solution of the Boltzmann transport equation and therefore, deformation potential theory has been employed to obtain the relaxation time of charge carriers separately. 68–71 Deformation potential theory appends the calculation of charge carrier mobility using the following expression which is widely utilized to derive the relaxation time 68–74 where C 2D is the two-dimensional elastic constants derived from the second-order derivative of the total energy as a function of applied strain, and m * is the effective mass of the charge carrier obtained from the band structure along the x and z -directions. E 1 is the deformation potential constants defined from the slope of the band edges with respect to the applied strain.…”

“…The electrical conductivity relies on the relaxation time, which is constant under the solution of the Boltzmann transport equation and therefore, deformation potential theory has been employed to obtain the relaxation time of charge carriers separately. [68][69][70][71] Deformation potential theory appends the calculation of charge carrier mobility using the following expression which is widely utilized to derive the relaxation time [68][69][70][71][72][73][74]…”

Oxidizing Hexagonal Boron Nitride into Fluorescent Structures by Photodissociated Directional Oxygen Radical

“…A thinner multilayer hBN at the left corner of Figure a (mainly ∼78 nm thick, yellow) has a reduced PL emission, especially when excited at 546 nm. This could be related to PL quenching from charges in the SiO 2 surface via the strongly doped oxygen atoms as detected in the TOF-SIMS and XPS measurements. − …”

B5N3 and B7N5 Monolayers with High Carrier Mobility and Excellent Optical Performance

“…This structural modification leads to the significant decreasing of the band gap of h-BN from 4.63 to 0.7 eV. The conductivity of BNO hence is increased in comparison with h-BN, up to nine times . Although these strategies are effective to some extent, they also increase the complexity of the structure and introduce unwanted defects when foreign atoms are involved. , …”

“…The conductivity of BNO hence is increased in comparison with h-BN, up to nine times. 14 Although these strategies are effective to some extent, they also increase the complexity of the structure and introduce unwanted defects when foreign atoms are involved. 15,16 In recent years, the ab initio evolutionary search method has played an important role in searching for and designing 2-D structures.…”