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Related Concept Videos

Qualitative Analysis03:46

Qualitative Analysis

26.9K
For solutions containing mixtures of different cations, the identity of each cation can be determined by qualitative analysis. This technique involves a series of selective precipitations with different chemical reagents, each reaction producing a characteristic precipitate for a specific group of cations. Metal ions within a group are further separated by varying the pH, heating the mixture to redissolve a precipitate, or adding other reagents to form complex ions.
For instance, group IV...
26.9K
Precipitation of Ions03:11

Precipitation of Ions

30.6K
Predicting Precipitation
The equation that describes the equilibrium between solid calcium carbonate and its solvated ions is:
30.6K
Ionic Association01:28

Ionic Association

24
The ionic association is the association of oppositely charged ions in an electrolyte solution to form ion pairs. Bjerrum defined ion pairs as two oppositely charged ions whose electrostatic attraction exceeds the thermal energy of the system, typically expressed as 2kT. Electrostatic attraction depends on ionic charge, separation distance, and the dielectric constant of the medium. Thermal energy, represented by kT, reflects the tendency of ions to move independently due to molecular motion.
24
Acid Halides to Amides: Aminolysis01:07

Acid Halides to Amides: Aminolysis

4.5K
Aminolysis is a nucleophilic acyl substitution reaction, where ammonia or amines act as nucleophiles to give the substitution product. Acid halides react with ammonia, primary amines, and secondary amines to yield primary, secondary, and tertiary amides, respectively.
In the first step of the aminolysis mechanism, the amine attacks the carbonyl carbon of the acyl chloride to form a tetrahedral intermediate. In the second step, the carbonyl group is re-formed with the elimination of a chloride...
4.5K
Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

52.6K
Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions. 
52.6K
Common Ion Effect03:24

Common Ion Effect

47.6K
Compared with pure water, the solubility of an ionic compound is less in aqueous solutions containing a common ion (one also produced by dissolution of the ionic compound). This is an example of a phenomenon known as the common ion effect, which is a consequence of the law of mass action that may be explained using Le Châtelier’s principle. Consider the dissolution of silver iodide:
47.6K

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Related Experiment Video

Updated: Mar 9, 2026

Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films
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Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films

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A new potential for methylammonium lead iodide.

C M Handley1, C L Freeman1

  • 1Department of Materials Science and Engineering, University of Sheffield, Mappin Street, Sheffield, S1 3JD, UK. c.l.freeman@sheffield.ac.uk.

Physical Chemistry Chemical Physics : PCCP
|January 6, 2017
PubMed
Summary

We developed new interatomic potentials for methylammonium lead iodide. These potentials accurately model both the combined material and its components, revealing cation and octahedra ordering.

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Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films
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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Solid-State Physics

Background:

  • Accurate modeling of hybrid organic-inorganic perovskites like methylammonium lead iodide is crucial for understanding their properties.
  • Existing interatomic potentials often struggle to capture the complex interactions within these materials.

Purpose of the Study:

  • To develop a robust set of interatomic potentials for simulating methylammonium lead iodide.
  • To enable accurate modeling of both the hybrid material and its constituent parts (lead iodide and methylammonium).

Main Methods:

  • Development of new potential functions by combining existing potentials for lead iodide and methylammonium.
  • Fitting of potential parameters using a combination of ab initio calculations and experimental data.
  • Molecular dynamics simulations to investigate structural ordering.

Main Results:

  • The new interatomic potentials successfully model methylammonium lead iodide.
  • The potentials can also accurately describe lead iodide and methylammonium iodide separately.
  • Simulations show agreement with experimental observations.
  • Revealed short- and long-range ordering of methylammonium cations and lead iodide octahedra.

Conclusions:

  • The developed interatomic potentials provide a reliable tool for future simulations of methylammonium lead iodide.
  • This work facilitates a deeper understanding of the structural dynamics in hybrid perovskites.
  • The approach allows for the study of material components and their interactions within the hybrid structure.