Materials Map

Discover the materials research landscape. Find experts, partners, networks.

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The Materials Map is an open tool for improving networking and interdisciplinary exchange within materials research. It enables cross-database search for cooperation and network partners and discovering of the research landscape.

The dashboard provides detailed information about the selected scientist, e.g. publications. The dashboard can be filtered and shows the relationship to co-authors in different diagrams. In addition, a link is provided to find contact information.

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The Materials Map is still under development. In its current state, it is only based on one single data source and, thus, incomplete and contains duplicates. We are working on incorporating new open data sources like ORCID to improve the quality and the timeliness of our data. We will update Materials Map as soon as possible and kindly ask for your patience.

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Topics

Publications (2/2 displayed)

  • 2024Mo–Si Alloys Studied by Atomistic Computer Simulations Using a Novel Machine‐Learning Interatomic Potential: Thermodynamics and Interface Phenomenacitations
  • 2019White‐Light Generation Upon In‐Situ Amorphization of Single Crystals of [{(Me<sub>3</sub>P)<sub>3</sub>AuSn}(PhSn)<sub>3</sub>S<sub>6</sub>] and [{(Et<sub>3</sub>P)<sub>3</sub>AgSn}(PhSn)<sub>3</sub>S<sub>6</sub>]30citations

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Rohrer, Jochen
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2019

Co-Authors (by relevance)

  • Rohrer, Jochen
  • Albe, Karsten
  • Dehnen, Stefanie
  • Dornsiepen, Eike
  • Sanna, Simone
  • Dues, Christof
  • Dobener, Florian
  • Mollenhauer, Doreen
  • Mengel, Nils
  • Chatterjee, Sangam
OrganizationsLocationPeople

article

White‐Light Generation Upon In‐Situ Amorphization of Single Crystals of [{(Me<sub>3</sub>P)<sub>3</sub>AuSn}(PhSn)<sub>3</sub>S<sub>6</sub>] and [{(Et<sub>3</sub>P)<sub>3</sub>AgSn}(PhSn)<sub>3</sub>S<sub>6</sub>]

  • Dehnen, Stefanie
  • Dornsiepen, Eike
  • Sanna, Simone
  • Dues, Christof
  • Dobener, Florian
  • Lenchuk, Olena
  • Mollenhauer, Doreen
  • Mengel, Nils
  • Chatterjee, Sangam
Abstract

<jats:title>Abstract</jats:title><jats:p>In order to gain more information on the white‐light generation by amorphous molecular materials, the influence of metal complex substituents on the photophysical properties of potential white‐light emitters is investigated. Three compounds of the general type [{(R<jats:sub>3</jats:sub>P)<jats:sub>3</jats:sub>MSn}{PhSn}<jats:sub>3</jats:sub>S<jats:sub>6</jats:sub>)], with R/M = Me/Au (<jats:bold>1</jats:bold>), Et/Ag (<jats:bold>4</jats:bold>), and Me/Cu (<jats:bold>5</jats:bold>), are produced by reactions of the organotin sulfide cluster [(PhSn)<jats:sub>4</jats:sub>S<jats:sub>6</jats:sub>] (<jats:bold>A</jats:bold>) with the corresponding coinage metal complexes [M(PR<jats:sub>3</jats:sub>)<jats:sub>3</jats:sub>Cl]. Excess of the gold complex in the reaction leads to rearrangement and formation of [Au(PMe<jats:sub>3</jats:sub>)<jats:sub>4</jats:sub>][Au(PMe<jats:sub>3</jats:sub>)<jats:sub>2</jats:sub>][(PhSnCl)<jats:sub>3</jats:sub>S<jats:sub>4</jats:sub>] (<jats:bold>2</jats:bold>). The use of PMe<jats:sub>3</jats:sub> instead of PEt<jats:sub>3</jats:sub> in the reaction with the silver salt causes decomposition and affords [(Me<jats:sub>3</jats:sub>P)<jats:sub>3</jats:sub>AgSnCl<jats:sub>3</jats:sub>] (<jats:bold>3</jats:bold>). All compounds are structurally characterized, and the necessity of sterically stabilizing PEt<jats:sub>3</jats:sub> groups at the silver complex in <jats:bold>4</jats:bold> are rationalized by density functional theory (DFT) calculations. Measurements of the photophysical properties of <jats:bold>1</jats:bold>, <jats:bold>4</jats:bold>, and <jats:bold>5</jats:bold> show that the introduction of the metallo‐ligands indeed affects the materials properties, and at the same time confirm that the reduction of the molecular symmetry alone is not a sufficient condition for white‐light generation (WLG), which still requires amorphicity of the compound. This is realized for <jats:bold>1</jats:bold> and <jats:bold>4</jats:bold> in situ, while reabsorption processes inhibit WLG in case of the copper compound <jats:bold>5</jats:bold>.</jats:p>

Topics
  • density
  • impedance spectroscopy
  • compound
  • cluster
  • single crystal
  • amorphous
  • silver
  • theory
  • gold
  • copper
  • density functional theory
  • decomposition