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相关概念视频

Atomic Structure01:33

Atomic Structure

All matter is composed of atoms, the smallest individual units of elements. Each atom is made up of three subatomic particles: protons, neutrons, and electrons. Together, these three particles account for the mass and the charge of an atom.The History of Atomic TheoryThe first person to propose that everything on Earth is made up of tiny particles was the Greek philosopher Democritus, around 450 B.C. He used the term atomos, Greek for “indivisible,” from which the modern term “atom” is derived.
Electron Microscope Tomography and Single-particle Reconstruction01:07

Electron Microscope Tomography and Single-particle Reconstruction

Transmission electron microscopy (TEM) can be used to determine the 3D structure of biological samples with the help of techniques such as electron microscope tomography and single-particle reconstruction. While single-particle reconstruction can examine macromolecules and macromolecular complexes in vitro conditions only, tomography permits the study of cell components or small cells in vivo.
Electron Tomography
Electron tomography can be performed either in TEM or STEM (scanning transmission...

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相关实验视频

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Reverse Microemulsion-mediated Synthesis of Monometallic and Bimetallic Early Transition Metal Carbide and Nitride Nanoparticles
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从单个到多元组件系统的--纳米粒子的结构演变研究.

Yi-Rong Liu1, Yan Jiang2, Lang Bai1

  • 1Public Experimental Teaching Center, Panzhihua University, Panzhihua, Sichuan 61700, China.

ACS omega
|November 18, 2024
PubMed
概括

这项研究发现,,和纳米粒子表现出类似的低能结构. 元素空间位置替换 (ESPR) 方法有效地重建这些结构,为设计具有增强催化性能的过渡金属纳米结构提供了见解.

科学领域:

  • 计算材料科学科学 计算材料科学
  • 纳米技术纳米技术
  • 量子化学 是一个量子化学.

背景情况:

  • 了解过渡金属纳米粒子的结构和电子特性对于开发先进材料至关重要.
  • 之前的工作建立了一个盆地跳转与镜子旋转采样 (BH-MRS) 方法与密度函数理论 (DFT) 结合用于结构性质研究.

研究的目的:

  • 研究 (Ti), (V) 和 (Nb) 系统的结构性质,包括它们的三元合金.
  • 探索元素空间位置替换 (ESPR) 方法用于重建低能纳米结构配置的效率.
  • 分析这些过渡金属纳米粒子的电子特性和稳定性.

主要方法:

  • 采用了与密度函数理论 (DFT) 集成的经过修订的流域跳跃与镜子旋转采样 (BH-MRS) 方法.
  • 研究的Tin,Vn,Nbn,和TixVyNbz (三元系统中的n=3m,m=1-7和n=1-7) 纳米粒子.
  • 利用元素空间位置替换 (ESPR) 方法重建低能耗结构,将其效率与BH-MRS进行比较.

主要成果:

  • 同原子TinVnNbn系统与其同等大小的单元对应物 (Tin,Vn,Nbn) 具有相似的最低能量结构.

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  • 在找到Ti系统的最低能量结构方面,ESPR方法比BH-MRS更有效.
  • 与Vn,Nbn和TinVn系统相比,Tin系统表现出优越的电子捕获能力,V和Nb的替换对稳定性的影响最小.

    • 结论:

    • 单个和多组件--纳米粒子之间的结构相似性简化了结构预测.
    • 该ESPR方法为重建低能纳米结构提供了一个有效的替代方案.
    • 结果为设计具有潜在增强催化性能的过渡金属纳米结构提供了宝贵的见解.