Heat release in clusterization of nanoparticles

采用近视力训练方法从头算精度研究大尺寸纳米颗粒合金催化剂的相稳定性

The phase stability of large-size nanoparticle alloy catalysts at ab initio quality using a nearsighted force-training approach

本研究针对大尺寸合金纳米颗粒催化剂相稳定性难以从头算表征的问题，采用近视力训练方法构建机器学习势函数，揭示了CoPt纳米颗粒的结构稳定性规律与相变特性。

Conformal Nanocarbon Coating of Alumina Nanocrystals for Biosensing and Bioimaging

A conformal coating technique with nanocarbon was developed to enhance the surface properties of alumina nanoparticles for bio-applications. The ultra-thin carbon layer induces new surface properties such as water dispersion, cytocompatibility and tuneable surface chemistry, while maintaining the optical properties of the core particle. The possibility of using these particles as agents for DNA sensing was demonstrated in a competitive assay. Additionally, the inherent fluorescence of the core alumina particles provided a unique platform for localization and monitoring of living organisms, all…

具有金属-绝缘体转变的铁磁Co掺杂ZnO纳米粒子的电输运和光学研究

Electrical transport and optical studies of ferromagnetic Cobalt doped ZnO nanoparticles exhibiting a metal-insulator transition

通过传输和光学测量进一步探索了先前报道的Co掺杂的ZnO 1-o纳米颗粒中观察到的氧空位和室温铁磁有序的相关性（Naeem等人Nanotechnology 17，2675-2680）。在这些颗粒中，室温铁磁有序已被观察到，只有在退火后，在形成气体。在目前的工作中，已经通过漫反射光谱在UV-Vis区域中研究了光学性质，并且已经发现Co掺杂的组合物的带隙随着Co的添加而减小。在Co+2 d-d（四面体对称）晶场跃迁的能量特征处观察到反射极小值，进一步建立了Co在替代位点中的存在。电输运测量的纳米粒子的结晶化样品表明，形成的气体的效果是强烈降低电阻率，随着Co浓度的增加。对于空气退火和非铁磁样品的电阻率作为Co含量的函数的变化是相反的，在合成气体中制备的颗粒中观察到的。当T> 380 K时，随着温度的升高，铁磁样品表现出明显的从绝缘体到金属的转变，并且这种转变随着Co含量的增加而变得更加明显。考虑Calderon等人的模型[M. J. Calderon和S. D. Sarma，Annals of Physics 2007（Accepted doi：10.1016/j.aop.2007.01.010），其中铁磁性从由低温绝缘区域中的极化子介导变为由从高温金属区域中的弱束缚态释放的载流子介导。

Effect of vanadium catalysts on hydrogen evolution from NaBH4

NaBH4 is a very cheap and hydrogen rich material and a potential hydrogen store. However, high temperature of its thermal decomposition (above 530°C) renders it inapplicable in practical use. Here, we have studied the effect of addition of diverse V containing catalysts on thermal hydrogen desorption. It turns out that mechanochemical doping of NaBH4 with vanadium metal, its oxides or nanoparticles lowers the temperature of pyrolysis significantly. Notably, NaBH4 milled for 3 hrs with 25 wt.% of V2O5 or VO2 releases ca. 70 % of stored hydrogen in the temperature range from ca. 370°C to 450°C. …

多AI代理框架揭示铝纳米颗粒氧化的'氧化守门人'

Multi-AI Agent Framework Reveals the "Oxide Gatekeeper" in Aluminum Nanoparticle Oxidation

本文提出多AI代理框架，揭示铝纳米颗粒氧化的'氧化守门人'机制，解决氧化过程中的质量传输问题，建立统一的原子尺度设计框架。

Ion implantation in nanodiamonds: size effect and energy dependence

Nanoparticles are ubiquitous in nature and are increasingly important for technology. They are subject to bombardment by ionizing radiation in a diverse range of environments. In particular, nanodiamonds represent a variety of nanoparticles of significant fundamental and applied interest. Here we present a combined experimental and computational study of the behaviour of nanodiamonds under irradiation by xenon ions. Unexpectedly, we observed a pronounced size effect on the radiation resistance of the nanodiamonds: particles larger than 8 nm behave similarly to macroscopic diamond (i.e. charact…

刹车磨损纳米颗粒对气道上皮保护与修复功能的影响

Effects of brake wear nanoparticles on the protection and repair functions of the airway epithelium

本研究探讨了刹车磨损纳米颗粒对气道上皮屏障的影响，发现其虽无明显细胞毒性，但可少量穿透屏障并增加粘液产生，同时可能通过促进细胞增殖损害上皮修复过程。

一种仿生反馈回路用于维持自润滑和耐磨性

A biomimetic feedback loop for sustaining self-lubrication and wear resistance

本文提出了一种仿生自调节润滑材料，通过摩擦产热驱动金属纳米颗粒迁移形成有序碳结构，实现自维持超低摩擦和长寿命耐磨性能。