Results 1 to 10 of about 4,854 (222)

Order–disorder phase transitions of phosphorene and their application to adiabatic quantum computing [PDF]

Scientific Reports
Phosphorene monolayers exhibit a range of advanced functional properties; however, their spin configurations and structural phase transitions remain unexplored in the context of enhancing performance in quantum computation and information. In this study,
Iman Gomrokizadeh, Farzaneh Shayeganfar, S. Mojtaba Tabatabaei, Ali Ramazani   +3 more
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Photocatalytic water splitting and charge carrier dynamics of Janus PtSSe/ζ-phosphorene heterostructure [PDF]

Scientific Reports
On the basis of first-principles calculations and non-adiabatic molecular dynamics (NAMD) simulations, we explore the photocatalytic water splitting properties of PtSSe/ζ-Phosphorene heterostructure.
Poonam Chauhan, Ashok Kumar
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Drug delivery of carvedilol (cardiovascular drug) using phosphorene as a drug carrier: a DFT study

Journal of Taibah University for Science, 2022
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, Qaba Qusain Afzal, Mehvish Perveen, Javed Iqbal, Mohammed Salim Akhter, Sidra Nazir, M. S. Al-Buriahi, Sultan Alomairy, Z. A. Alrowaili   +8 more
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Regulation of electronic and optical properties of monolayer black phosphorus by co-doping B and Si

AIP Advances, 2022
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

Advanced Photonics Research, 2023
Phosphorene possesses a unique combination of physical and chemical properties, including tunable direct bandgap, anisotropic electronic and optical properties.
Shancheng Yan, Xi Wang, Fei Zhou, Hao Liu, Shuai Lou, Shuren Lin, Yi Shi, Jie Yao   +7 more
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First principles study of field effect device through van der Waals and lateral heterostructures of graphene, phosphorene and graphane

Nano Materials Science, 2022
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, D.A. Ryndyk, A. Dianat, R. Gutierrez, G. Cuniberti   +4 more
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Sandwiching Phosphorene with Iron Porphyrin Monolayer for High Stability and Its Biomimetic Sensor to Sensitively Detect Living Cell Released NO

Advanced Science, 2022
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, Fangxin Hu, Xijuan Hao, Qianghai Rao, Tao Hu, Wei Sun, Chunxian Guo, Chang Ming Li   +7 more
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Adsorption of Transition Metals on Black Phosphorene: a First-Principles Study

Nanoscale Research Letters, 2018
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, Chongdan Ren, Sake Wang, Shaohan Li, Peigen Zhang, Jin Yu, Minglei Sun, Zhengming Sun, Wencheng Tang   +8 more
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Interaction of Water and Oxygen Molecules with Phosphorene: An Ab Initio Study

Molecules, 2023
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, Nicolò Bassoli, Paolo Restuccia, Mauro Ferrario, Maria Clelia Righi   +4 more
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Modulation of the electronic properties of blue phosphorene/stanene heterostructures by electric field and interlayer distance

Results in Physics, 2022
Two-dimensional (2D) materials of perpendicular integration have recently emerged, which can be used to design novel electronic and optoelectronic devices.
Jingjin Chen, Kexin Ma, Jianrong Xiao, Liang Xu, Xueqiong Dai, Zhiyong Wang   +5 more
doaj   +1 more source