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相关概念视频

Properties of Transition Metals02:58

Properties of Transition Metals

26.1K
Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
26.1K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

26.7K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
26.7K
Ladder Diagrams: Complexation Equilibria01:07

Ladder Diagrams: Complexation Equilibria

370
Ladder diagrams are useful for evaluating equilibria involving metal-ligand complexes. The vertical scale of the ladder diagram represents the concentration of unreacted or free ligand, pL. The horizontal lines on the scale depict the log of stepwise formation constants for metal-ligand complexes and indicate the dominant species in all the regions.
The formation constant, K1, for the formation of Cd(NH3)2+ complex from cadmium and ammonia is 3.55 × 102. Log K1 (i.e. pNH3) is 2.55, and...
370
Valence Bond Theory02:42

Valence Bond Theory

8.6K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
8.6K
Complexation Equilibria: Factors Influencing Stability of Complexes01:09

Complexation Equilibria: Factors Influencing Stability of Complexes

398
In complexation reactions, metal cations are the electron pair acceptors, and the ligands are the electron pair donors. The stability of the metal complexes depends primarily on the complexing ability of the central metal ion and the nature of the ligands. Generally, the complexing ability of the metal ion depends on the size and charge of the ion. As the metal ion size increases, the stability of the metal complexes decreases, provided that the valency of the metal ion and the ligands remain...
398
Trends in Lattice Energy: Ion Size and Charge02:54

Trends in Lattice Energy: Ion Size and Charge

24.0K
An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
24.0K

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相关实验视频

Updated: Jul 15, 2025

Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing
06:44

Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing

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逆转如何与复杂氧化物中破坏性倾向有关.

Vancho Kocevski1, Ghanshyam Pilania1, Blas P Uberuaga1

  • 1Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA. blas@lanl.gov.

Physical chemistry chemical physics : PCCP
|October 4, 2023
PubMed
概括

复杂的氧化物 复杂的氧化物

科学领域:

  • 材料科学 材料科学 材料科学
  • 固态化学 固态化学
  • 晶体学 晶体学是指结晶学.

背景情况:

  • 复杂的氧化物具有不同的功能,这是由它们可调的化学和结构所驱动的.
  • 阴离子排序显著影响复杂氧化物的功能性质.
  • 了解阴离子干扰对于材料的发现和优化至关重要.

研究的目的:

  • 建立一个可靠的指标来预测复杂氧化物中阴离子破坏性倾向.
  • 为了将结构逆转能量与不同物质家族的阴离子扰乱趋势相关联.
  • 为了能够快速选复杂的氧化物,用于依赖于离子顺序的应用.

主要方法:

  • 计算材料科学方法.
  • 计算反转晶体结构所需的能量 (在子格子中交换离子).
  • 分析矿,火化和螺旋结构中的破坏趋势.

主要成果:

  • 在能量逆转结构和阳离子对混乱的倾向之间发现了强烈的相关性.
  • 这种能量指标有质地预测了矿,火矿和螺旋矿的破坏性趋势.
  • 该指标在几个具体情况下被证明是定量的,验证了其预测能力.

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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides

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Fabrication of Spatially Confined Complex Oxides
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相关实验视频

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Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing
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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides

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Fabrication of Spatially Confined Complex Oxides
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Fabrication of Spatially Confined Complex Oxides

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结论:

  • 结构逆转能量作为评估复杂氧化物中阴离子扰乱的快速和强大的指标.
  • 这一发现促进了新型复杂氧化物材料的快速选,这些材料具有所需的依赖于阴离子排序的功能.
  • 开辟了加速发现功能复杂氧化物材料的新途径.