Porous Materials @ Work

Publikationen

Publikationen pro Jahr 2018 2018 2019 2020 2021 2022

• 14 Artikel
• 4 Poster

Publikationen pro Jahr

Publikationen pro Jahr

Suchergebnisse

• 2022

  Discovering structure–property relationships for the phonon band structures of hydrocarbon-based organic semiconductor crystals: the instructive case of acenes

  Kamencek, T. & Zojer, E., 21 Feb. 2022, in: Journal of Materials Chemistry C. 10, 7, S. 2532-2543 12 S.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Crystal Structure 100%
  • Molecular Structure 100%
  • Phonon 100%
  • Group Velocity 50%
• 2021

  Avoiding the Center-Symmetry Trap: Programmed Assembly of Dipolar Precursors into Porous, Crystalline Molecular Thin Films

  Nefedov, A., Haldar, R., Xu, Z., Kühner, H., Hofmann, D., Goll, D., Sapotta, B., Hecht, S., Krstić, M., Rockstuhl, C., Wenzel, W., Bräse, S., Tegeder, P., Zojer, E. & Wöll, C., 2 Sept. 2021, in: Advanced Materials. 33, 35, 2103287.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Thin Films 100%
  • Electric Field 100%
  • Porosity 100%
  • Metalorganic Frameworks 75%
  • Epitaxial Growth 50%

• Identifying the Bottleneck for Heat Transport in Metal–Organic Frameworks

  Wieser, S., Kamencek, T., Dürholt, J. P., Schmid, R., Bedoya‐Martínez, N. & Zojer, E., Jan. 2021, in: Advanced Theory and Simulations. 4, 1, 2000211.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Nodes 100%
  • Heat Transport 100%
  • Conductive Heat Transfer 100%
  • Heat Conduction 100%
  • Thermal Conductivity 100%

• Maximizing the Carrier Mobilities of Metal-Organic Frameworks Comprising Stacked Pentacene Units

  Zojer, E. & Winkler, C., 29 Juli 2021, in: Journal of Physical Chemistry Letters. 12, 29, S. 7002-7009 8 S.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Carrier Mobility 100%
  • Metal-Organic Framework 100%
  • Metal-Organic Frameworks 100%
  • Charge Carrier 20%
  • Density 20%

• Understanding the Anisotropic Elastic Properties of Metal–Organic Frameworks at the Nanoscale: The Instructive Example of MOF-74

  Kamencek, T. & Zojer, E., 11 Nov. 2021, in: The Journal of Physical Chemistry C. 125, 44, S. 24728–24745 18 S.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Anisotropic 100%
  • Nanoscale 100%
  • Metal-Organic Framework 100%
  • Elastic Property 100%
  • Building Block 50%

• Understanding the origin of serrated stacking motifs in planar two-dimensional covalent organic frameworks

  Winkler, C., Kamencek, T. & Zojer, E., 28 Mai 2021, in: Nanoscale. 13, 20, S. 9339-9353 15 S.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Density Functional Theory 100%
  • electronics 100%
  • Van Der Waals Force 100%
  • Covalent Bond 100%
  • Covalent Organic Framework 100%
• 2020

  (Invited) Understanding Phonons and Thermal Transport in Metal-Organic Frameworks

  Wieser, S., Kamencek, T., Bedoya-Martinez, N., Schmid, R., Dürholt, J. P. & Zojer, E., 23 Nov. 2020, in: ECS Meeting Abstracts.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel

• Electrostatic Design of Polar Metal–Organic Framework Thin Films

  Nascimbeni, G., Wöll, C. & Zojer, E., 3 Dez. 2020, in: Nanomaterials. 10, 12, 18 S., 2420.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Band Gap 100%
  • Electrostatic Potential 100%
  • Electrostatics 100%
  • Thin Films 100%
  • Metalorganic Frameworks 100%

• Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene

  Kamencek, T., Wieser, S., Kojima, H., Bedoya-Martínez, N., Dürholt, J. P., Schmid, R. & Zojer, E., 2020, in: Journal of Chemical Theory and Computation. 16, 4, S. 2716-2735 20 S.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Semiconducting Organic Compound 100%
  • Free Energy 100%
  • Naphthalene 100%
  • Semiconductor Material 66%
  • Specific Heat 50%

• Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks

  Windischbacher, A., Steiner, L., Haldar, R., Wöll, C., Zojer, E. & Kelterer, A.-M., 15 Sept. 2020, in: Molecules. 25, 18, 21 S., 4230.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Metal-Organic Frameworks 100%
  • Chromophore 100%
  • Metal-Organic Framework 100%
  • Surface (Surface Science) 33%
  • Photovoltaics 33%

• Strategies for Controlling Through-Space Charge Transport in Metal-Organic Frameworks via Structural Modifications

  Winkler, C. & Zojer, E., 28 Nov. 2020, in: Nanomaterials. 10, 12, S. 1-21 21 S., 2372.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

  • Space Charge 100%
  • Charge Transfer 100%
  • Metal Organic Framework 100%
  • Metal-Organic Framework 100%
  • electronics 40%
• 2019

  Analyzing the Electronic Coupling in Molecular Crystals—The Instructive Case of α‐Quinacridone

  Winkler, C., Mayer, F. & Zojer, E., 28 Mai 2019, in: Advanced Theory and Simulations. 2, 5, 1800204.

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

• Understanding phonon properties in isoreticular metal-organic frameworks from first principles

  Kamencek, T., Bedoya-Martínez, N. & Zojer, E., 11 Nov. 2019, in: Physical Review Materials. 3, S. 116003

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

• Understanding the Correlation between Electronic Coupling and Energetic Stability of Molecular Crystal Polymorphs: The Instructive Case of Quinacridone

  Winkler, C., Jeindl, A., Hofmann, O. & Zojer, E., 27 Aug. 2019, in: Chemistry of Materials. 31, 17, S. 7054-7069

  Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

  Open Access

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