Tuning the electronic properties of oxide nano-particles by site-selective metal doping

通过位点选择性金属掺杂调节氧化物纳米颗粒的电子性能

• 批准号: 20810004
• 负责人: PETER Sushko
• 金额: $ 2.1万
• 依托单位: Tohoku University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Young Scientists (Start-up)
• 财政年份: 2008
• 资助国家: 日本
• 起止时间: 2008 至 2009
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20810004/
• 关键词: nano-structures; optical properties; doping; ab initio; oxides; electronic structure; desorption; defects; embedding

We investigated theoretically atomic scale mechanisms of interaction of ultra-violet light with nano-particles of alkaline-earth oxides. The work has been conducted along three lines. Computational methodology : developed a method for generating electrostatic embedding potential needed for accurate modeling of electronic excited states in materials. Optical properties : established that iso-valent metal atom doping of MgO nano-partices modifies the potential energy surface of the luminescent lattice sites and affects both optical absorption and emission properties of these nano-particles. Photo-induced desorption: proposed mechanisms of site-selective photo-induced desorption of fast neutral atoms from nano-particles of MgO and CaO.

我们从理论上研究了紫外线与碱土氧化物纳米粒子相互作用的原子尺度机制。这项工作沿着三个方向进行。计算方法：开发了一种生成材料中电子激发态精确建模所需的静电嵌入电势的方法。光学性质：确定MgO纳米粒子的等价金属原子掺杂改变了发光晶格位点的势能表面，并影响这些纳米粒子的光学吸收和发射性质。光诱导解吸：提出了 MgO 和 CaO 纳米颗粒中快速中性原子的位点选择性光诱导解吸机制。

项目成果

Photo-induced desorption of hyperthermal oxygen and metal atoms from oxide nano-structures

氧化物纳米结构中高温氧和金属原子的光诱导解吸

• 发表时间: 2008
• 作者: P. V. Sushko;A. L. Shluger;K. Hayashi;M. Hirano;H. Hosono;P.V.Sushko;P. V. Sushko;P. V. Sushko
• 通讯作者: P. V. Sushko

Tuning photoluminescence properties of alkaline-earth oxide nanoparticles by site-selective functionalization and doping

通过位点选择性功能化和掺杂调节碱土氧化物纳米颗粒的光致发光特性

• 发表时间: 2009
• 作者: P. V. Sushko;K. P. McKenna;A. L. Shluger
• 通讯作者: A. L. Shluger

Photoluminescence Properties of Alkaline-Earth Oxide Nanoparticles

碱土氧化物纳米粒子的光致发光性质

• 发表时间: 2010
• 期刊: ECS Transactions 28(3)
• 作者: P. V. Sushko;K. P. McKenna;D. Munoz Ramo;A. L. Shluger;A. Sternig;S. Stankic;M. Muller;O. Diwald
• 通讯作者: O. Diwald

Subnanoporous electrides

亚纳米孔电子化合物

• 发表时间: 2010
• 作者: P. E. Trevisanutto;P. V. Sushko;K. M. Beck;A. G. Joly;W. P. Hess;A. L. Shluger;P. V. Sushko
• 通讯作者: P. V. Sushko

Site-Selective Photo-Activation and Functionalisation of MgO Nanocubes

MgO 纳米立方体的位点选择性光激活和功能化

• 发表时间: 2008
• 作者: P. V. Sushko;A. L. Shluger;M. Sterrer;T. Berger;O. Diwald;E. Knozinger
• 通讯作者: E. Knozinger