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Advanced theoretical investigations are crucial for understanding the structural growth mechanisms, optoelectronic properties, and photocatalytic activity of photoelectrodes for efficient photoelectrochemical water splitting. In this work,…

Materials Science · Physics 2025-03-24 Abdul Ahad Mamun , Muhammad Anisuzzaman Talukder

Owing to its outstanding electronic properties, black phosphorus (BP) is considered as a promising material for next-generation optoelectronic devices. In this work, devices based on BP/MXene (Zrn+1CnT2, T = O, F, OH, n = 1, 2) van der…

Materials Science · Physics 2018-02-13 Hao Yuan , Zhenyu Li

Black phosphorus (BP) exhibits highly anisotropic properties and dynamical behavior that are unique even among two-dimensional and van der Waals (vdW) layered materials. Here, we show that an interlayer lattice contraction and concerted,…

Mesoscale and Nanoscale Physics · Physics 2022-07-27 Mazhar Chebl , Xing He , Ding-Shyue Yang

We investigate the electronic and optical properties of monolayer and stacking dependent bilayer blue phosphorus in the framework of density functional theory (DFT) and tight-binding approximations. We extract the hopping parameters of TB…

Mesoscale and Nanoscale Physics · Physics 2016-07-27 Y. Mogulkoc , M. Modarresi , A. Mogulkoc , Y. O. Ciftci

Solution dispersions of two-dimensional (2D) black phosphorus (BP), often referred to as phosphorene, are achieved by solvent exfoliation. These pristine, electronic-grade BP dispersions are produced with anhydrous, organic solvents in a…

Few-layer black phosphorus (BP), as the most alluring graphene analogue owing to its similar structure as graphene and thickness dependent direct band-gap, has now triggered a new wave of research on two-dimensional (2D) materials based…

We propose a strategy to make phosphorus nanotubes from two well-known phosphorus allotropes: violet phosphorus and fibrous red phosphorus. First-principles calculations show that doping with sulfur dissociates the covalent bonds between…

Materials Science · Physics 2024-12-03 Romakanta Bhattarai , Xiao Shen

Doping is of great importance to tailor the electrical properties of semiconductors. However, the present doping methodologies for organic semiconductors (OSCs) are either inefficient or can only apply to a small number of OSCs, seriously…

The enhanced photocatalytic performance of doped graphene(GR)/semiconductor nanocomposites have recently been widely observed, but an understanding of the underlying mechanisms behind it is still out of reach. As a model system to study the…

Computational Physics · Physics 2015-10-29 Chao-Ni He , Wei-Qing Huang , Liang Xu , Yin-Cai Yang , Bing-Xin Zhou , Gui-Fang Huang , P. Peng , Wu-Ming Liu

Modulating electronic structure of monolayer transition metal dichalcogenides (TMDCs) is important for many applications and doping is an effective way towards this goal, yet is challenging to control. Here we report the in-situ…

Phosphorus is one of the most abundant elements preserved in earth, constructing with a fraction of ~0.1% of the earth crust. In general, phosphorus has several allotropes. The two most commonly seen allotropes, white and red phosphorus,…

Materials Science · Physics 2014-11-05 Han Liu , Yuchen Du , Yexin Deng , Peide D. Ye

The doping of graphene to tune its electronic structure is essential for its further use in carbon based electronics. Adapting strategies from classical silicon based semiconductor technology, we use the incorporation of heteroatoms in the…

Graphene phonons are measured as a function of electron doping via the addition of potassium adatoms. In the low doping regime, the in-plane carbon G-peak hardens and narrows with increasing doping, analogous to the trend seen in graphene…

Mesoscale and Nanoscale Physics · Physics 2015-03-17 C. A. Howard , M. P. M. Dean , F. Withers

Penta-graphene (PG) is a carbon allotrope that has recently attracted the attention of the materials science community due to its interesting properties for renewable energy applications. Although unstable in its pure form, it has been…

We report analytic results on quantum capacitance (C$_{q}$) measurements and their optical tuning in dual-gated device with potassium-doped multi-layered black phosphorous (BP) as the channel material. The two-dimensional (2D) layered BP is…

Materials Science · Physics 2017-08-09 Parijat Sengupta , Shaloo Rakheja

Bipolar carrier transport is often a limiting factor in the thermoelectric efficiency of narrow bandgap materials at high temperatures due to the reduction in the Seebeck coefficient and the introduction of an additional term to the thermal…

Materials Science · Physics 2019-03-27 Samuel Foster , Neophytos Neophytou

We report the fabrication, characterization, and modeling of photoconductive antennas using 40 nm thin-film flakes of black phosphorus (BP) as the photoconductor and hexagonal boron nitride (hBN) as a capping layer to prevent oxidation of…

This paper examines the micro-parameters of superconductors. It studies the modulations from weak van der Waals interaction to strong covalence bonding of superconductors. In particular, we studied layered black phosphorus (BP) as a…

Conventional models of planar and bulk heterojunction organic solar cells have been extended by introducing doping in the active layer. We have studied the performance of organic solar cells as a function of dopant concentration. For bulk…

Materials Science · Physics 2015-06-03 V. A. Trukhanov , V. V. Bruevich , D. Yu. Paraschuk

By means of oxide molecular beam epitaxy with shutter-growth mode, we have fabricated a series of electron-doped (Sr1-xLax)2IrO4(001)(x = 0, 0.05, 0.1 and 0.15) single crystalline thin films and then investigated the doping dependence of…

Strongly Correlated Electrons · Physics 2015-04-27 M. Y. Li , Z. T. Liu , H. F. Yang , J. L. Zhao , Q. Yao , C. C. Fan , J. S. Liu , B. Gao , D. W. Shen , X. M. Xie