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5,517 Newest Publications about the topic doping

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Doping disorder and the reduction–doping process in LiSrPO4

19-Jan-2018 | Ricardo D. S. Santos; Marcos V. dos S. Rezende, Physical Chemistry Chemical Physics, 2018

A systematic theoretical study was performed on trivalent and divalent rare-earth (RE) dopant ions in the LiSrPO4 structure, using atomistic simulations based on lattice energy minimization. It was found that RE3+ and RE2+ ions are most energetically favorable for incorporation at the Sr site. ...

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Enhancing thermoelectric performance of Cu2Se by doping Te

19-Jan-2018 | Yong-Bin Zhu; Bo-Ping Zhang; Yong Liu, Physical Chemistry Chemical Physics, 2018

Owing to the excellent electrical properties and inherently complex crystal structure, Cu2Se has been considered as a promising thermoelectric (TE) material. Herein, a series of Cu2Se1−xTex (x = 0, 0.02, 0.04, 0.06, and 0.08) bulk samples are prepared by combining mechanical alloying (MA) and ...

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Controlling the magnetic and optical responses of a MoS2 monolayer by lanthanide substitutional doping: a first-principles study

19-Jan-2018 | Cecil N. M. Ouma; Sobhit Singh; Kingsley O. Obodo; George O. Amolo; Aldo H. Romero, Physical Chemistry Chemical Physics, 2018

The electronic, magnetic and optical properties of lanthanide substitutional doping (∼2% concentration) on the MoS2 monolayer have been investigated within the density functional theory formalism together with the Hubbard correction (DFT+U). The dopants investigated include Ce, Eu, Gd, Lu and Tm. ...

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Electronic Structure and Optical Absorption Spectra of C–Cr Co‐Doped Anatase TiO2 Based on First Principles

19-Jan-2018 | Cheng Liu, Yumin Song, Xiaohua Yu, Jianxiong Liu, Jiushuai Deng, physica status solidi (b), 2018

The geometrical structure, defect formation energies, electrical and optical properties of C and/or Cr doped anatase TiO2 are calculated by GGA + U method under the framework of density functional theory. The relationship between band structure and light absorption is revealed. The results show ...

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Tilted Spiro‐Type Thermally Activated Delayed Fluorescence Host for ≈100% Exciton Harvesting in Red Phosphorescent Electronics with Ultralow Doping Ratio

19-Jan-2018 | Ya‐Kun Wang, Si‐Hua Li, Sheng‐Fan Wu, Chen‐Chao Huang, Sarvendra Kumar, Zuo‐Quan Jiang, Man‐Keung Fung, Liang‐Sheng Liao, Advanced Functional Materials, 2018

Abstract Despite promising efficiency, the high fabrication cost due to the required high concentrations of noble metal based phosphors is still problematic for phosphorescent organic light‐emitting diodes (PhOLEDs). This situation becomes even serious considering some practical applications ...

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Realizing zT of 2.3 in Ge1−x−ySbxInyTe via Reducing the Phase‐Transition Temperature and Introducing Resonant Energy Doping

19-Jan-2018 | Min Hong, Zhi‐Gang Chen, Lei Yang, Yi‐Chao Zou, Matthew S. Dargusch, Hao Wang, Jin Zou, Advanced Materials, 2018

Abstract GeTe with rhombohedral‐to‐cubic phase transition is a promising lead‐free thermoelectric candidate. Herein, theoretical studies reveal that cubic GeTe has superior thermoelectric behavior, which is linked to (1) the two valence bands to enhance the electronic transport coefficients ...

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3D Carbon Electrocatalysts In Situ Constructed by Defect‐Rich Nanosheets and Polyhedrons from NaCl‐Sealed Zeolitic Imidazolate Frameworks

19-Jan-2018 | Yuqing Wang, Li Tao, Zhaohui Xiao, Ru Chen, Zhongqing Jiang, Shuangyin Wang, Advanced Functional Materials, 2018

Abstract The proper structure design and defect engineering are of essential importance to develop advanced electrocatalysts for the oxygen reduction reaction (ORR), which is a critical reaction in both fundamental science and industrial applications. Herein, a three‐dimensional carbon ...

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Unravelling external perturbation effects on the optical phonon response of graphene

19-Jan-2018 | Nedjma Bendiab, Julien Renard, Cornelia Schwarz, Antoine Reserbat‐Plantey, Léo Djevahirdjian, Vincent Bouchiat, Joha ..., Journal of Raman Spectroscopy, 2018

Raman spectroscopy is a powerful and nondestructive probe that demonstrates its efficiency in revealing the physical properties of low‐dimensional sp2 carbon systems. It gives access to the number of layers, the quality and the nature of defects of all carbon allotropes, but also to the ...

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Unravelling external perturbation effects on the optical phonon response of graphene

19-Jan-2018 | Nedjma Bendiab, Julien Renard, Cornelia Schwarz, Antoine Reserbat‐Plantey, Léo Djevahirdjian, Vincent Bouchiat, Joha ..., Journal of Raman Spectroscopy, 2018

Raman spectroscopy is a powerful and nondestructive probe that demonstrates its efficiency in revealing the physical properties of low‐dimensional sp2 carbon systems. It gives access to the number of layers, the quality and the nature of defects of all carbon allotropes, but also to the ...

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Electronic Band Structure Engineering and Enhanced Thermoelectric Transport Properties in Pb-Doped BiCuOS Oxysulfide

19-Jan-2018 | Jean-Baptiste Labégorre; Rabih Al Rahal Al Orabi; Agathe Virfeu; Jacinthe Gamon; Philippe Barboux; Lauriane Pautrot- ..., Chemistry of Materials, 2018

In this paper, Bi1–xPbxCuOS samples (0 ≤ x ≤ 0.05) have been synthesized with a simple and scalable ball-milling process, followed by a reactive Spark Plasma Sintering. Our results highlight that, Pb for Bi substitution increases the charge carriers concentration by more than 2 orders of ...

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