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Using the first-principles GW-Bethe-Salpeter equation method, here we study the excited-state properties, including quasi-particle band structures and optical spectra, of phosphorene, a two-dimensional (2D) atomic layer of black phosphorus.…

材料科学 · 物理学 2015-07-28 Vellayappan Dheivanayagam S/O Ganesan , Chun Zhang , Yuan Ping Feng , Lei Shen

In this paper we develop a semi-analytical perturbation-theory approach to the calculation of the energy levels (binding energies) and wave functions of excitons in phosphorene. Our method gives both the exciton wave function in real and…

介观与纳米尺度物理 · 物理学 2020-01-14 J. C. G. Henriques , N. M. R. Peres

Blue phosphorene -- two-dimensional, hexagonal-structured, semiconducting phosphorus -- has gained attention as it is considered easier to synthesize on metal surfaces than its allotrope, black phosphorene. Recent studies report different…

In this work, we reported uniform layer-by-layer sublimation of black phosphorus under heating below 600 K. The uniformity and crystallinity of BP samples after thermal thinning were confirmed by Raman spectra and 2D Raman imaging. A…

材料科学 · 物理学 2017-08-02 Weijun Luo , Rui Yang , Jialun Liu , Yunlong Zhao , Wenjuan Zhu , Guangrui , Xia

There have been continuous efforts to seek for novel functional two-dimensional semiconductors with high performance for future applications in nanoelectronics and optoelectronics. In this work, we introduce a successful experimental…

A multi-scale approach for the theoretical description of deformed phosphorene is presented. This approach combines a valence-force model to relate macroscopic strain to microscopic displacements of atoms and a tight-binding model with…

介观与纳米尺度物理 · 物理学 2022-02-25 Daniel Midtvedt , Caio H. Lewenkopf , Alexander Croy

Black phosphorus has recently emerged as a promising material for high performance electronic and optoelectronic device for its high mobility, tunable mid-infrared bandgap and anisotropic electronic properties. Dynamical evolution of photo…

In this work we report results of step-by-step modeling of the oxidation of free-standing boron monolayers of different types. Results of the calculations demonstrate that the process of the oxidation is always exothermic and lead toward…

材料科学 · 物理学 2020-04-22 Xue Lei , Anatoly F. Zatsepin , Danil W. Boukhvalov

Recently fabricated two dimensional (2D) phosphorene crystal structures have demonstrated great potential in applications of electronics. Mechanical strain was demonstrated to be able to significantly modify the electronic properties of…

材料科学 · 物理学 2014-07-02 Qun Wei , Xihong Peng

In order to fabricate precise atomic-scale devices in silicon using a combination of scanning tunnelling microscopy (STM) and molecular beam epitaxy it is necessary to minimize the segregation/diffusion of dopant atoms during silicon…

Phosphorene, a new two-dimensional (2D) semiconductor, has received much interest due to its robust direct band gap and high charge mobility. Currently, however, phosphorene can only be produced by mechanical or liquid exfoliation, and it…

材料科学 · 物理学 2016-09-20 Junfeng Gao , Gang Zhang , Yong-Wei Zhang

Graphene stands as a promising material with vast potential across energy storage, electronics, etc. Here, we present a novel mechanical approach utilizing ultrasonic high-energy intercalation exfoliation to extract monolayer graphene from…

材料科学 · 物理学 2025-01-15 Kaitong Sun , Si Wu , Junchao Xia , Yinghao Zhu , Guanping Xu , Hai-Feng Li

Oxygen, invariably present in a normal working environment, is a fundamental cause of the degradation of phosphorene. Using first-principles calculations, we show that for each oxygen atom adsorbed onto phosphorene there is an energy…

介观与纳米尺度物理 · 物理学 2015-01-30 A. Ziletti , A. Carvalho , D. K. Campbell , D. F. Coker , A. H. Castro Neto

A simple solvent exchange method is introduced to prepare high-concentration and surfactant-free graphene liquid dispersion. Natural graphite flakes are first exfoliated into graphene in dimethylformamide (DMF). DMF is then exchanged by…

材料科学 · 物理学 2012-05-10 Jiantong Li , Fei Ye , Sam Vaziri , Mamoun Muhammed , Max C. Lemme , Mikael Östling

We review the basic optical, electronic, optoelectronic, thermoelectric and mechanical properties of few-layer black phosphorus (BP), a layered semiconductor that can be exfoliated from bulk BP, the most stable allotrope of phosphorus. The…

介观与纳米尺度物理 · 物理学 2017-10-17 Andrey Chaves , W. Ji , J. Maassen , T. Dumitrica , T. Low

Hybrid materials, containing a 2D filler embedded in a polymeric matrix, are an interesting platform for several applications, because of the variety of properties that the filler can impart to the polymer matrix when dispersed at the…

The capacity and stability of constituent electrodes determine the performance of Li-ion batteries. In this study, density functional theory is employed to explore the potential application of recently synthesized two dimensional…

介观与纳米尺度物理 · 物理学 2014-09-24 Shijun Zhao , Wei Kang

Phosphorene, a new elemental two dimensional (2D) material recently isolated by mechanical exfoliation, holds the feature of a direct band gap of around 2.0 eV, overcoming graphene's weaknesses (zero band gap) to realize the potential…

材料科学 · 物理学 2016-12-07 Liujiang Zhou , Jin Zhang , Zhiwen Zhuo , Liangzhi Kou , Wei Ma , Bin Shao , Aijun Du , Sheng Meng , Thomas Frauenheim

We experimentally determine the lattice dynamics of black phosphorus layered crystals through a combination of x-ray diffuse scattering and inelastic x-ray scattering, and we rationalize our experimental findings using $\textit{ab initio}$…

Electronic structures of single crystalline black phosphorus were studied by state-of-art angleresolved photoemission spectroscopy. Through high resolution photon energy dependence measurements, the band dispersions along out-of-plane and…