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Heteroatom doping is an important method for engineering graphene nanoribbons (GNRs) because of its ability to modify electronic properties by introducing extra electrons or vacancies. However, precisely integrating oxygen atoms into the…

Electron-boson coupling plays a key role in superconductivity for many systems. However, in copper-based high-temperature ($T_c$) superconductors, its relation to superconductivity remains controversial despite strong spectroscopic…

Spatially controlling the Fermi level of topological insulators and keeping its electronic states stable are indispensable processes to put this material into practical use for semiconductor spintronics devices. So far, however, such a…

The prospects of scaling current photovoltaic technologies to terawatt levels remain uncertain. All-oxide photovoltaics could open rapidly scalable manufacturing routes, if only oxide materials with suitable electronic and optical…

材料科学 · 物理学 2016-04-04 Haowei Peng , Andre Bikowski , Andriy Zakutayev , Stephan Lany

The doping of semiconductor materials is a fundamental part of modern technology, but the classical approaches have in many cases reached their limits both in regard to achievable charge carrier density, as well as mobility. Modulation…

For a wide class of technologically relevant compound III-V and II-VI semiconductor materials AC and BC mixed crystals (alloys) of the type A(x)B(1-x)C can be realized. As the electronic properties like the bulk band gap vary continuously…

材料科学 · 物理学 2015-06-03 Daniel Mourad , Gerd Czycholl

This letter reports a charge transfer p-doping scheme which utilizes one-electron oxidizing molecules to obtain stable, unipolar carbon nanotube transistors with a self-aligned gate structure. This doping scheme allows one to improve…

材料科学 · 物理学 2015-07-20 Jia Chen , Christian Klinke , Ali Afzali , Phaedon Avouris

We present the GGA+U calculations to investigate the electronic structure and visible light absorption of the N, B-codoped anatase TiO2. The NsBi (substitutional N, interstitial B) codoped TiO2 produces significant Ti 3d and N 2p mid-gap…

材料科学 · 物理学 2015-08-10 Meili Guo , Xiao-Dong Zhang , Jiulin Du

In the high-transition-temperature (high-Tc) superconductors the pseudogap phase becomes predominant when the density of doped holes is reduced1. Within this phase it has been unclear which electronic symmetries (if any) are broken, what…

Understanding the mechanism of the heterojunction is an important step towards controllable and tunable interfaces for photocatalytic and photovoltaic based devices. To this aim, we propose a thorough study of a double heterostructure…

计算物理 · 物理学 2019-04-04 Slimane Haffad

The interaction between substitutional nitrogen atoms in graphene is studied by performing first principles calculations. The nearest neighbor interaction between nitrogen dopants is highly repulsive because of the strong electrostatic…

材料科学 · 物理学 2015-03-19 Hongjun Xiang , Bing Huang , Zhenyu Li , Su-Huai Wei , Jinlong Yang , Xingao Gong

Two-dimensional (2D) semiconductors are likely to dominate next-generation electronics due to their advantages in compactness and low power consumption. However, challenges such as high contact resistance and inefficient doping hinder their…

材料科学 · 物理学 2024-10-11 Raagya Arora , Ariel R. Barr , Daniel T. Larson , Michele Pizzochero , Efthimios Kaxiras

TiO2 with super narrow bandgap (1.1 eV~) are successfully synthesized via a facile and novel one-step single-mode magnetic microwave induced plasma treatment. The selectively surface Ti3+-doping on obtained TiO2 as trapping centers which…

应用物理 · 物理学 2022-02-04 Kunihiko Kato , Yunzi Xin , Takashi Shirai

We present ab initio calculations on the band structure and density of states of single wall semiconducting carbon nanotubes with high degrees (up to 25%) of B, Si and N substitution. The doping process consists of two phases: different…

介观与纳米尺度物理 · 物理学 2015-01-13 E. Tetik

We show that the optical and electronic properties of nanocrystalline silicon can be efficiently tuned using impurity doping. In particular, we give evidence, by means of ab-initio calculations, that by properly controlling the doping with…

其他凝聚态物理 · 物理学 2009-11-13 Federico Iori , Elena Degoli , Rita Magri , Ivan Marri , G. Cantele , D. Ninno , F. Trani , O. Pulci , Stefano Ossicini

Titanium dioxide is a photocatalytic substance of great practical importance. However, with its bandgap in the ultraviolet (UV) regime, native forms (undoped) of TiO2 generally exhibits poor photocatalytic activities under visible light.…

化学物理 · 物理学 2013-12-04 Mingzheng Wang , Ka-Kit Yee , Biao Nie , Hua Cheng , Jian Lu , Linbao Luo , Zhengtao Xu , Yang Yang Li

Carbon nanotubes are one-dimensional and very narrow. These obvious facts imply that under doping with boron and nitrogen, microscopic doping inhomogeneity is much more important than for bulk semiconductors. We consider the possibility of…

材料科学 · 物理学 2009-11-07 Paul E. Lammert , Vincent H. Crespi , Angel Rubio

New generation Indium based lead-free Cs2InAgCl6 is a promising halide material in photovoltaic applications due to its good air stability and non-toxic behavior. But its wide band gap (>3 eV) is not suitable for solar spectrum and hence…

In the framework of a two-band model, we study the phase separation regime of different kinds of strongly correlated charge carriers as a function of the energy splitting between the two sets of bands. The narrow (wide) band simulates the…

强关联电子 · 物理学 2008-10-29 K. I. Kugel , A. L. Rakhmanov , A. O. Sboychakov , Nicola Poccia , Antonio Bianconi

Electrooxidation is an attractive technique that can be effectively applied for the treatment of persistent organic contaminants, but its implementation in practice is limited by the lack of efficient and low cost anode material that would…