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Atomic Structure01:33

Atomic Structure

209.3K
Overview
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Atomic Mass01:52

Atomic Mass

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Atoms — and the protons, neutrons, and electrons that compose them — are extremely small. For example, a carbon atom weighs less than 2 × 10−23 g. When describing the properties of tiny objects such as atoms, we use appropriately small units of measure, such as the atomic mass unit (amu). The amu was originally defined based on hydrogen, the lightest element, then later in terms of oxygen. Since 1961, it has been defined with regard to the most abundant isotope of carbon, atoms of which...
70.1K
Activation Energy01:26

Activation Energy

86.6K
Activation energy is the minimum amount of energy necessary for a chemical reaction to move forward. The higher the activation energy, the slower the rate of the reaction. However, adding heat to the reaction will increase the rate, since it causes molecules to move faster and increase the likelihood that molecules will collide. The collision and breaking of bonds represents the uphill phase of a reaction and generates the transition state. The transition state is an unstable high-energy state...
86.6K
Atomic Orbitals02:44

Atomic Orbitals

43.9K
An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.
43.9K
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

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The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
67.2K
The Energies of Atomic Orbitals03:21

The Energies of Atomic Orbitals

30.2K
In an atom, the negatively charged electrons are attracted to the positively charged nucleus. In a multielectron atom, electron-electron repulsions are also observed. The attractive and repulsive forces are dependent on the distance between the particles, as well as the sign and magnitude of the charges on the individual particles. When the charges on the particles are opposite, they attract each other. If both particles have the same charge, they repel each other.
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

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CO2活性化のためのニウム単原子触媒

Marie-Mathilde Millet1, Gerardo Algara-Siller1, Sabine Wrabetz1

  • 1Department of Inorganic Chemistry , Fritz-Haber-Institut der Max-Planck-Gesellschaft , Faradayweg 4-6 , 14195 Berlin , Germany.

Journal of the American Chemical Society
|January 15, 2019
PubMed
まとめ

単原子ニッケル触媒は,逆水ガスシフト反応のために二酸化炭素 (CO2) を活性化します. しかし,孤立したニッケル原子は,複雑な反応の単原子触媒の限界を強調し,製品をさらに水素化することはできません.

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科学分野:

  • 材料科学
  • キャタリシス
  • 表面化学

背景:

  • 単原子触媒 (SAC) は,最大原子利用によりユニークな反応性を提供します.
  • 分離された金属原子とクラスターの役割を理解することは,触媒の設計に不可欠です.
  • 二酸化炭素の変換は 炭素の吸収と利用の鍵となるプロセスです

研究 の 目的:

  • CO2活性化のためのニッケル単原子触媒 (SAC) の触媒活性を調査する.
  • 反応メカニズムを解明し,CO2変換の活性部位を特定する.
  • CO2の水素化反応におけるNi SACの安定性と限界を評価する.

主な方法:

  • MgOの固体溶液によるNi SACの合成
  • X線光電子スペクトロスコーピー (XPS) とマイクロカロメトリーを用いた特徴付け.
  • ハイブリッド機能計算を用いた計算モデリング.
  • CO2変換と水素化のためのインサイト触媒試験.

主要な成果:

  • Ni原子は,MgO上の低調整された表面位置を占める.
  • Ni SACは,逆水ガスシフト反応 (rWGS) を通じて,CO2をCOに効率的に変換する.
  • CO形成率は,表面のNi濃度と線形相関を示している.
  • Ni SACは100時間以上安定し,反応中にNiクラスタ形成は観察されなかった.
  • CO2をCH4またはメタノールに水素化するには,単離されたNi原子ではなくNiクラスターが必要です.
  • 表面の炭酸塩の形成と分解は,Niの集積と関連しています.

結論:

  • 原子的に分散したNiは,CO2活性化およびrWGSの活性部位として作用する.
  • 単離されたNi原子は,その後の水素化段階では不十分であり,複雑な変換のためのSACの限界を示している.
  • Ni SACsの安定性は実証されているが,反応条件下では結合が起こる.
  • この研究は,CO2利用のためのNi活性サイトとSACの境界について基本的な洞察を提供します.