Results 1 to 10 of about 2,793 (166)
Drug delivery of carvedilol (cardiovascular drug) using phosphorene as a drug carrier: a DFT study
2D nanomaterial phosphorene is a chemistically stable, biocompatible, and biodegradable drug delivery platform. This study investigates the drug loading efficiency of phosphorene for the cardiovascular drug carvedilol using density-functional theory (DFT)
Javeria Rafique +8 more
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Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si
The electronic and optical properties of B or Si single-doped phosphorene and ones of B and Si co-doped phosphorene are computed and compared by first-principles calculations.
Rong Qiao, Xiao Dong, Yangfan Li
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Optical Signatures of Phosphorene Chemical Evolvement in Liquid Environment
Phosphorene possesses a unique combination of physical and chemical properties, including tunable direct bandgap, anisotropic electronic and optical properties.
Shancheng Yan +7 more
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Chemical modification and vertical stacking of two-dimensional materials are promising techniques for new nanoelectronic devices. We present Density Functional Tight Binding (DFTB) calculations of a field-effect device, based on lateral and vertical ...
C. Rebolledo Espinoza +4 more
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Instability of 2D phosphorene material is the major obstacle for its broad applications. Herein phosphorene is sandwiched with self‐assembled iron porphyrin monolayers on both sides (I‐Phene) to significantly enhance stability.
Chunmei Zhang +7 more
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Adsorption of Transition Metals on Black Phosphorene: a First-Principles Study
Black phosphorene is a novel two-dimensional material which has unique properties and wide applications. Using first-principles calculations, we investigated the adsorption behavior of 12 different transition metals (TMs; Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag ...
Yi Luo +8 more
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Interaction of Water and Oxygen Molecules with Phosphorene: An Ab Initio Study
Phosphorene, the 2D form of black phosphorus, has recently attracted interest for optoelectronic and tribological applications. However, its promising properties are affected by the strong tendency of the layers to oxidize in ambient conditions.
Francesca Benini +4 more
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Two-dimensional (2D) materials of perpendicular integration have recently emerged, which can be used to design novel electronic and optoelectronic devices.
Jingjin Chen +5 more
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Graphene’s success for nanopore deoxyribonucleic acid (DNA) sequencing has shown that it is possible to explore other potential single-atom and few-atom thick layers of elemental 2D materials beyond graphene (e.g., phosphorene and silicene) and also that
Matthew B. Henry +2 more
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Holey phosphorene, a novel type of nano-black phosphorus, has been theoretically predicted to have potential for a wide range of applications in catalysis, membrane separation and other fields.
Yuncai Jiang +5 more
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