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The role of doping in tailoring thermal transport in semiconductors is critical for efficient thermal management in electronic devices. While the effects of doping have been extensively studied to tune electrical properties, its impact on…

Materials Science · Physics 2025-04-30 Zifeng Huang , Jianbo Liang , Yuxiang Wang , Zixuan Sun , Naoteru Shigekawa , Ming Li , Runsheng Wang , Zhe Cheng

Low-dimensional systems based on black phosphorus (BP) have recently attracted much interest. Since the crystal structure of BP consists of 2D layers with a strong in-plane anisotropy, its electronic properties at a high magnetic field…

Mesoscale and Nanoscale Physics · Physics 2025-03-26 H. Okamura , S. Iguchi , T. Sasaki , Y. Ikemoto , T. Moriwaki , Y. Akahama

In amorphous materials, acceptor and donor impurities rarely dope the system (shift the Fermi level). We find out why in a-Si:H. We report simulations on B and P doping of a-Si:H and a-Si. We analyze the Electronic Density of States (EDOS)…

Disordered Systems and Neural Networks · Physics 2011-05-10 Bin Cai , David A. Drabold

Negative compressibility generated by many-body effects in 2D electronic systems can enhance gate capacitance. We observe capacitance enhancement in a newly emerged 2D layered material, atomically thin black phosphorus (BP). The…

Mesoscale and Nanoscale Physics · Physics 2016-04-05 Yingying Wu , Xiaolong Chen , Zefei Wu , Shuigang Xu , Tianyi Han , Jiangxiazi Lin , Yuan Cai , Yuheng He , Chun Cheng , Ning Wang

Based on first-principles calculations, we propose a potential access to the yet unrealized freestanding blue phosphorus (blueP) through transformation of black phosphorus (blackP) induced by surface bromine (Br) adsorption. Formation of…

Materials Science · Physics 2024-04-09 Hao Tian , Wenjun Xie , Maohai Xie , Chuanhui Zhu , Hu Xu , Shuk-Yin Tong

Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still however, a great deal remains to be understood about the…

Materials Science · Physics 2016-05-25 Yasmine S. Al-Hamdani , Dario Alfè , O. Anatole von Lilienfeld , Angelos Michaelides

We report on the mechanical properties of few-layer black phosphorus (BP) nanosheets, in high vacuum and as a function of time of exposure to atmospheric conditions [1]. BP flakes with thicknesses ranging from 4 to 30 nm suspended over…

Phosphorus has diverse chemical bonds and even in its two-dimensional form there are three stable allotropes: black phosphorene (Black-P), blue phosphorene (Blue-P), and violet phosphorene (Violet-P). Due to the complexity of these…

Computational Physics · Physics 2023-02-10 Penghua Ying , Ting Liang , Ke Xu , Jin Zhang , Jianbin Xu , Jianyang Wu , Zheyong Fan , Tapio Ala-Nissila , Zheng Zhong

SnSe is a promising thermoelectric material with record-breaking figure of merit, \textit{i.e., ZT}. As a semiconductor, optimal electrical dosage is the key challenge to maximize \textit{ZT} in SnSe. However, to date a comprehensive…

The electrochemical doping transformation in organic semiconductor devices is studied in application to light-emitting cells. It is shown that the device performance can be significantly improved by utilizing new fundamental properties of…

Materials Science · Physics 2012-09-14 V. Bychkov , P. Matyba , V. Akkerman , M. Modestov , D. Valiev , G. Brodin , C. K. Law , M. Marklund , L. Edman

Ce3+ doped SrS phosphors with a charge-compensating Na+ for light-emitting diode (LED) applications have been successfully synthesized via a solid-state reaction method, which can be indexed to rock-salt-like crystal structures of Fm-3m…

Materials Science · Physics 2021-11-24 Shuqin Chang , Jipeng Fu , Xuan Sun , Guangcan Bai , Guoquan Liu , Kaina Wang , Ligang Xu , Qi Wei , Thomas Meier , Mingxue Tang

Boron (B)/phosphorus (P) doped single wall carbon nanotubes (B-PSWNTs) are studied by using the First- Principle method based on density function theory (DFT). Mayer bond order, band structure, electrons density and density of states are…

Mesoscale and Nanoscale Physics · Physics 2011-08-15 AQing Chen , QingYi Shao , Zhen Li

The crystallographic orientation of anisotropic 2D materials plays a crucial role in their physical properties and device performance. However, standard orientation techniques such as transmission electron microscopy (TEM) or X-ray…

Controlling charged impurity disorder is a critical challenge for realizing the promise of topological insulator (TI) surfaces in devices. While doping is often used to tune the chemical potential, its impact on the fundamental disorder…

Materials Science · Physics 2025-12-16 Kanav Sharma , Niranjay K R , Infan S Mesh , Radha Krishna Gopal , Chiranjib Mitra

Few-layer black phosphorus has recently emerged as a promising candidate for novel electronic and optoelectronic device. Here we demonstrate by first-principles calculations and Boltzmann theory that, black phosphorus could also have…

Materials Science · Physics 2016-06-08 J. Zhang , H. J. Liu , L. Cheng , J. Wei , J. H. Liang , D. D. Fan , P. H. Jiang , L. Sun , J. Shi

A comprehensive study of the electronic and structural phase transition from 1T` to Td in the bulk Weyl semimetal Mo1-xWxTe2 at different doping concentrations has been carried out using time-of-flight momentum microscopy (including…

Solar-driven water electrolysis requires high-performance photoelectrodes that exhibit excellent photoabsorption, superior charge transport, and optimized thermal management. In this work, we conducted a first-principles investigation to…

Chemical Physics · Physics 2025-08-22 Abdul Ahad Mamun , Muhammad Anisuzzaman Talukder

A comparative study of the electrical and optical properties has been done on 3d-doped TiO$_2$. Ti$_{1-x}$M$_x$O$_2$ (M= Sc, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) powder and its corresponding pellets, with doping concentration $x= 0.05$. The…

Materials Science · Physics 2022-10-24 Shashi Pandey , Alok Shukla , Anurag Tripathi

Energy bandgap largely determines the optical and electronic properties of a semiconductor. Variable bandgap therefore makes versatile functionality possible in a single material. In layered material black phosphorus, the bandgap can be…

The structural, electronic, lattice dynamics, electron-phonon coupling, and superconducting properties of the alkali-metal hydride RbH, metalized through electron-doping by the construction of the solid-solution Rb$_{1-x}$Sr$_x$H, are…

Superconductivity · Physics 2022-10-19 S. Villa-Cortés , M. A. Olea-Amezcua , O. De la Peña-Seaman
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