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Optical absorption and excitation spectra of monolayer blue phosphorene
Journal of Physics: Condensed Matter, 2019Abstract We study the optical absorption and excitation spectra of monolayer blue phosphorene with two approaches. The first is based on the approximation in conjunction with the Bethe–Salpeter equation theory.
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Electrical contacts in monolayer blue phosphorene devices
Nano Research, 2018Semiconducting monolayer (ML) blue phosphorene (BlueP) shares similar stability with ML black phosphorene (BP), and it has recently been grown on an Au surface. Potential ML BlueP devices often require direct contact with metal to enable the injection of carriers.
Jingzhen Li +13 more
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Physical Chemistry Chemical Physics, 2018
Blue phosphorene (Blue-p), an allotrope of black phosphorene, has attracted extensive interest due to its hexagonal crystal with a flat arranged layer of phosphorus atoms.
Leqian Du +5 more
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Blue phosphorene (Blue-p), an allotrope of black phosphorene, has attracted extensive interest due to its hexagonal crystal with a flat arranged layer of phosphorus atoms.
Leqian Du +5 more
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Vibrational properties and Raman spectra of pristine and fluorinated blue phosphorene
Physical Chemistry Chemical Physics, 2019Using density functional theory, we investigated the vibrational properties and Raman spectra of pristine blue phosphorene and fluorinated blue phosphorene. We have calculated the Raman tensor and thus the angle-dependent Raman intensity for the Raman active modes A 1g and E
Zexiang Deng +3 more
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Vanishing Schottky Barriers in Blue Phosphorene/MXene Heterojunctions
The Journal of Physical Chemistry C, 2017An appropriate electrode material is crucial for two-dimensional (2D) semiconductors, where a vanishing Schottky barrier is ideal but is a great challenge. Blue phosphorene (BlueP) is a promising 2D semiconductor for electronic and optoelectronic applications.
Hefei Wang +3 more
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First-principles study of thermoelectric properties of blue phosphorene
Applied Physics Letters, 2018Thermoelectric behavior involving coupled electron and phonon transport properties of monolayer blue phosphorene is studied using the Boltzmann transport equation and first-principles calculations based on the density functional perturbation theory and Wannier interpolation. We find that the maximum figure of merit, ZT, of 0.016 is achievable in n-type
Zeyu Liu +2 more
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Ultrahigh Storage and Fast Diffusion of Na and K in Blue Phosphorene Anodes
ACS Applied Materials & Interfaces, 2018In the wake of blue phosphorene's (BP) computational discovery and experimental realization, it has emerged as a versatile material with interesting optical, electrical, and mechanical properties. In this study, using first principles density functional theory calculations, we have investigated the adsorption and diffusion of Na and K over monolayer BP
Sankha Mukherjee +2 more
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Thermoelectric transport properties of Ti doped/adsorbed monolayer blue phosphorene
Nanotechnology, 2018Abstract Thermoelectric transport properties of Ti doped or adsorbed monolayer blue phosphorene are investigated by density functional theory combined with the nonequilibrium Green’s function formalism. The thermal giant magnetoresistance and a nearly 100% spin polarization which solely relies on the temperature gradient of electrodes
Lin Zhu, Bowen Li, Kailun Yao
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The transport and optical sensing properties of blue phosphorene: A first-principles study
2019 14th International Conference on Design & Technology of Integrated Systems In Nanoscale Era (DTIS), 2019We report a first-principles study of the transport and optical properties of pristine, B-, C-, and N-doped blue phosphorous monolayers with adsorbed N 2 , O 2 , H 2 S, SO 2 , CO, CO 2 , NH 3 , NO, and NO 2 gas molecules. The transmission spectrum analysis shows the largest adsorption energies for blue phosphorene (BlueP) exposed to NO and NO2 gas ...
Fatemeh Safari +3 more
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