Integrated Computational Engineering, Characterization and Validation of Semiconductor Colloidal Nanocrystals with Advanced Properties

具有先进性能的半导体胶体纳米晶体的集成计算工程、表征和验证

• 批准号: 263742589
• 负责人: Professor Dr. Nikolai Gaponik (†)
• 金额: --
• 依托单位: Professur für Theoretische Chemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2014
• 资助国家: 德国
• 起止时间: 2013-12-31 至 2017-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/263742589?language=en
• 关键词: Integrated; Computational; Engineering; Characterization; Validation

ICENAP will design new nanocrystals (quantum dots - QD) and tailor microstructural changes in known ones during processing to obtain the following improved properties: (i) photoluminescent (PL) quantum yield exceeding 90% irrespective of QD concentration; (ii) minimum blinking; (iii) inorganic shells designed to ensure stable QD PL for at least 12 months; and (iv) organic shells ensuring QD stability in biological media for at least 6 months. New generation QDs will be developed through modeling and simulation using material physics-based design principles. The results will be used for the synthesis of QD cores and their layer-by-layer coating with inorganic shells, utilizing structural models fitting their structure seen in HRTEM. The predicted properties of these multishell QDs will be experimentally validated. ICENAP combines modeling, simulation and validation of a new class of nanomaterials, which will have a strategic impact and create new dynamism by accumulation of new knowledge along the innovation chain.

ICENAP将设计新的纳米晶体（i）光致发光（PL）量子产率超过90%，而与QD浓度无关;（ii）最小闪烁;（iii）无机壳设计为确保稳定的QD PL至少12个月;和（iv）确保QD在生物介质中稳定至少6个月的有机壳。新一代量子点将通过使用基于材料物理的设计原理的建模和仿真来开发。结果将用于QD核的合成及其与无机壳的逐层涂层，利用HRTEM中看到的结构模型拟合其结构。这些多壳量子点的预测特性将通过实验验证。ICENAP结合了新型纳米材料的建模、模拟和验证，这将产生战略影响，并通过沿着创新链积累新的知识创造新的动力。

项目成果

Precise Engineering of Nanocrystal Shells via Colloidal Atomic Layer Deposition

• DOI: 10.1021/acs.chemmater.7b01873
• 发表时间: 2017-08
• 期刊: Chemistry of Materials
• 影响因子: 8.6
• 作者: E. Slejko;V. Sayevich;Bin Cai;N. Gaponik;V. Lughi;V. Lesnyak;A. Eychmüller

Detecting and Quantifying Geometric Features in Large Series of Cluster Structures

• DOI: 10.1515/zpch-2015-0743
• 发表时间: 2016-05-01
• 期刊: ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
• 影响因子: 2.5
• 作者: Joswig, Jan-Ole;Lorenz, Tommy
• 通讯作者: Lorenz, Tommy

Diffusion- and reaction-limited cluster aggregation revisited

• DOI: 10.1039/c9cp00549h
• 发表时间: 2019-03-14
• 期刊: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
• 影响因子: 3.3
• 作者: Jungblut, Swetlana;Joswig, Jan-Ole;Eychmueller, Alexander
• 通讯作者: Eychmueller, Alexander

Quenching of quantum dots luminescence under light irradiation and its influence on the biological application

光照射下量子点发光的猝灭及其对生物应用的影响

• DOI: 10.1088/1742-6596/784/1/012014
• 发表时间: 2017
• 期刊: Journal of Physics: Conference Series
• 作者: K. V. Vokhmintcev;C. Guhrenz;N. Gaponik;I. Nabiev;P. S. Samokhvalov
• 通讯作者: P. S. Samokhvalov

pH and concentration dependence of the optical properties of thiol-capped CdTe nanocrystals in water and D2O.

• DOI: 10.1039/c6cp03123d
• 发表时间: 2016-07
• 期刊: Physical chemistry chemical physics : PCCP
• 作者: R. Schneider;F. Weigert;V. Lesnyak;S. Leubner;T. Lorenz;T. Behnke;A. Dubavik;Jan‐Ole Joswig;U. Resch‐Genger;N. Gaponik;A. Eychmüller