DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Linker Redox Mediated Control of Morphology and Properties in Semiconducting Iron‐Semiquinoid Coordination Polymers**

Abstract

Abstract The emergence of conductive 2D and less commonly 3D coordination polymers (CPs) and metal–organic frameworks (MOFs) promises novel applications in many fields. However, the synthetic parameters for these electronically complex materials are not thoroughly understood. Here we report a new 3D semiconducting CP Fe 5 (C 6 O 6 ) 3 , which is a fusion of 2D Fe‐semiquinoid materials and 3D cubic Fe x (C 6 O 6 ) y materials, by using a different initial redox‐state of the C 6 O 6 linker. The material displays high electrical conductivity (0.02 S cm −1 ), broad electronic transitions, promising thermoelectric behavior ( S 2 σ=7.0×10 −9  W m −1  K −2 ), and strong antiferromagnetic interactions at room temperature. This material illustrates how controlling the oxidation states of redox‐active components in conducting CPs/MOFs can be a “pre‐synthetic” strategy to carefully tune material topologies and properties in contrast to more commonly encountered post‐synthetic modifications.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [1]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [1]; ORCiD logo [4]; ORCiD logo [1]
  1. Department of Chemistry University of Chicago 5735 S Ellis Ave Chicago IL 60637 USA
  2. IRAMIS Leon Brillouin Laboratory CEA-Saclay 91191 Gif-sur-Yvette France
  3. Pritzker School of Molecular Engineering University of Chicago 5735 S Ellis Ave Chicago IL 60637 USA
  4. Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute and Chicago Center for Theoretical Chemistry University of Chicago 5735 S Ellis Ave Chicago IL 60637 USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1891566
Alternate Identifier(s):
OSTI ID: 1897576
Resource Type:
Published Article
Journal Name:
Angewandte Chemie
Additional Journal Information:
Journal Name: Angewandte Chemie Journal Volume: 134 Journal Issue: 45; Journal ID: ISSN 0044-8249
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Wang, Lei, Papoular, Robert J., Horwitz, Noah E., Xie, Jiaze, Sarkar, Arup, Campisi, Dario, Zhao, Norman, Cheng, Baorui, Grocke, Garrett L., Ma, Tengzhou, Filatov, Alexander S., Gagliardi, Laura, and Anderson, John S. Linker Redox Mediated Control of Morphology and Properties in Semiconducting Iron‐Semiquinoid Coordination Polymers**. Germany: N. p., 2022. Web. doi:10.1002/ange.202207834.
Wang, Lei, Papoular, Robert J., Horwitz, Noah E., Xie, Jiaze, Sarkar, Arup, Campisi, Dario, Zhao, Norman, Cheng, Baorui, Grocke, Garrett L., Ma, Tengzhou, Filatov, Alexander S., Gagliardi, Laura, & Anderson, John S. Linker Redox Mediated Control of Morphology and Properties in Semiconducting Iron‐Semiquinoid Coordination Polymers**. Germany. https://doi.org/10.1002/ange.202207834
Wang, Lei, Papoular, Robert J., Horwitz, Noah E., Xie, Jiaze, Sarkar, Arup, Campisi, Dario, Zhao, Norman, Cheng, Baorui, Grocke, Garrett L., Ma, Tengzhou, Filatov, Alexander S., Gagliardi, Laura, and Anderson, John S. Fri . "Linker Redox Mediated Control of Morphology and Properties in Semiconducting Iron‐Semiquinoid Coordination Polymers**". Germany. https://doi.org/10.1002/ange.202207834.
@article{osti_1891566,
title = {Linker Redox Mediated Control of Morphology and Properties in Semiconducting Iron‐Semiquinoid Coordination Polymers**},
author = {Wang, Lei and Papoular, Robert J. and Horwitz, Noah E. and Xie, Jiaze and Sarkar, Arup and Campisi, Dario and Zhao, Norman and Cheng, Baorui and Grocke, Garrett L. and Ma, Tengzhou and Filatov, Alexander S. and Gagliardi, Laura and Anderson, John S.},
abstractNote = {Abstract The emergence of conductive 2D and less commonly 3D coordination polymers (CPs) and metal–organic frameworks (MOFs) promises novel applications in many fields. However, the synthetic parameters for these electronically complex materials are not thoroughly understood. Here we report a new 3D semiconducting CP Fe 5 (C 6 O 6 ) 3 , which is a fusion of 2D Fe‐semiquinoid materials and 3D cubic Fe x (C 6 O 6 ) y materials, by using a different initial redox‐state of the C 6 O 6 linker. The material displays high electrical conductivity (0.02 S cm −1 ), broad electronic transitions, promising thermoelectric behavior ( S 2 σ=7.0×10 −9  W m −1  K −2 ), and strong antiferromagnetic interactions at room temperature. This material illustrates how controlling the oxidation states of redox‐active components in conducting CPs/MOFs can be a “pre‐synthetic” strategy to carefully tune material topologies and properties in contrast to more commonly encountered post‐synthetic modifications.},
doi = {10.1002/ange.202207834},
journal = {Angewandte Chemie},
number = 45,
volume = 134,
place = {Germany},
year = {Fri Oct 07 00:00:00 EDT 2022},
month = {Fri Oct 07 00:00:00 EDT 2022}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1002/ange.202207834

Save / Share:

Works referenced in this record:

2D Conductive Metal–Organic Frameworks: An Emerging Platform for Electrochemical Energy Storage
journal, August 2020


Redox Control and High Conductivity of Nickel Bis(dithiolene) Complex π-Nanosheet: A Potential Organic Two-Dimensional Topological Insulator
journal, October 2014

  • Kambe, Tetsuya; Sakamoto, Ryota; Kusamoto, Tetsuro
  • Journal of the American Chemical Society, Vol. 136, Issue 41
  • DOI: 10.1021/ja507619d

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Maximizing the Carrier Mobilities of Metal–Organic Frameworks Comprising Stacked Pentacene Units
journal, July 2021


Modular Chemistry: Secondary Building Units as a Basis for the Design of Highly Porous and Robust Metal−Organic Carboxylate Frameworks
journal, April 2001

  • Eddaoudi, Mohamed; Moler, David B.; Li, Hailian
  • Accounts of Chemical Research, Vol. 34, Issue 4, p. 319-330
  • DOI: 10.1021/ar000034b

Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal–Organic Framework
journal, December 2020

  • Chen, Gan; Gee, Leland B.; Xu, Wenqian
  • Journal of the American Chemical Society, Vol. 142, Issue 51
  • DOI: 10.1021/jacs.0c09379

Conductive two-dimensional metal–organic frameworks as multifunctional materials
journal, January 2018

  • Ko, Michael; Mendecki, Lukasz; Mirica, Katherine A.
  • Chemical Communications, Vol. 54, Issue 57
  • DOI: 10.1039/C8CC02871K

MOF-based electronic and opto-electronic devices
journal, January 2014

  • Stavila, V.; Talin, A. A.; Allendorf, M. D.
  • Chem. Soc. Rev., Vol. 43, Issue 16
  • DOI: 10.1039/C4CS00096J

High Thermopower in a Zn-Based 3D Semiconductive Metal–Organic Framework
journal, November 2020

  • Park, Jihye; Hinckley, Allison C.; Huang, Zhehao
  • Journal of the American Chemical Society, Vol. 142, Issue 49
  • DOI: 10.1021/jacs.0c09573

Unraveling the Electrical and Magnetic Properties of Layered Conductive Metal‐Organic Framework With Atomic Precision
journal, December 2021

  • Meng, Zheng; Jones, Christopher G.; Farid, Sidra
  • Angewandte Chemie, Vol. 134, Issue 6
  • DOI: 10.1002/ange.202113569

Electronic Devices Using Open Framework Materials
journal, July 2020


Is iron unique in promoting electrical conductivity in MOFs?
journal, January 2017

  • Sun, Lei; Hendon, Christopher H.; Park, Sarah S.
  • Chemical Science, Vol. 8, Issue 6
  • DOI: 10.1039/C7SC00647K

Control of Electronic Structure and Conductivity in Two-Dimensional Metal–Semiquinoid Frameworks of Titanium, Vanadium, and Chromium
journal, February 2018

  • Ziebel, Michael E.; Darago, Lucy E.; Long, Jeffrey R.
  • Journal of the American Chemical Society, Vol. 140, Issue 8
  • DOI: 10.1021/jacs.7b13510

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
journal, October 1994


A Redox‐Active 2D Metal–Organic Framework for Efficient Lithium Storage with Extraordinary High Capacity
journal, March 2020

  • Jiang, Qiang; Xiong, Peixun; Liu, Jingjuan
  • Angewandte Chemie International Edition, Vol. 59, Issue 13
  • DOI: 10.1002/anie.201914395

Tetraoxolene radical stabilization by the interaction with transition-metal ions
journal, June 1991

  • Dei, Andrea.; Gatteschi, Dante.; Pardi, Luca.
  • Inorganic Chemistry, Vol. 30, Issue 12
  • DOI: 10.1021/ic00012a006

Lithium Salt of Tetrahydroxybenzoquinone: Toward the Development of a Sustainable Li-Ion Battery
journal, July 2009

  • Chen, Haiyan; Armand, Michel; Courty, Matthieu
  • Journal of the American Chemical Society, Vol. 131, Issue 25
  • DOI: 10.1021/ja9024897

Synthetic investigation of competing magnetic interactions in 2D metal–chloranilate radical frameworks
journal, January 2020

  • Collins, Kelsey A.; Saballos, Richard J.; Fataftah, Majed S.
  • Chemical Science
  • DOI: 10.1039/D0SC01994A

Electrically Conductive Metal–Organic Frameworks
journal, April 2020


Effects of Covalency on Anionic Redox Chemistry in Semiquinoid-Based Metal–Organic Frameworks
journal, January 2020

  • Ziebel, Michael E.; Gaggioli, Carlo Alberto; Turkiewicz, Ari B.
  • Journal of the American Chemical Society, Vol. 142, Issue 5
  • DOI: 10.1021/jacs.9b13050

Structural and magnetic properties of tris(o-semiquinone) complexes of iron(III) and chromium(III)
journal, December 1978

  • Buchanan, Robert M.; Kessel, Stephen L.; Downs, Hartly H.
  • Journal of the American Chemical Society, Vol. 100, Issue 25
  • DOI: 10.1021/ja00493a018

Electronic Challenges of Retrofitting 2D Electrically Conductive MOFs to Form 3D Conductive Lattices
journal, April 2021

  • Le, Khoa N.; Mancuso, Jenna L.; Hendon, Christopher H.
  • ACS Applied Electronic Materials, Vol. 3, Issue 5
  • DOI: 10.1021/acsaelm.0c01135

Unraveling the Electrical and Magnetic Properties of Layered Conductive Metal‐Organic Framework With Atomic Precision
journal, December 2021

  • Meng, Zheng; Jones, Christopher G.; Farid, Sidra
  • Angewandte Chemie International Edition, Vol. 61, Issue 6
  • DOI: 10.1002/anie.202113569

Recent Advances on Anilato-Based Molecular Materials with Magnetic and/or Conducting Properties
journal, April 2017


Retrofitting metal-organic frameworks
journal, October 2019


Electric relaxation and Mn3+/Mn4+ charge transfer in Fe-doped Bi12MnO20–BiMn2O5 structural self-composite
journal, October 2016

  • Leonarska, A.; Kądziołka-Gaweł, M.; Szeremeta, A. Z.
  • Journal of Materials Science, Vol. 52, Issue 4
  • DOI: 10.1007/s10853-016-0515-2

Direct Evidence of Photoinduced Charge Transport Mechanism in 2D Conductive Metal Organic Frameworks
journal, November 2020

  • Nyakuchena, James; Ostresh, Sarah; Streater, Daniel
  • Journal of the American Chemical Society, Vol. 142, Issue 50
  • DOI: 10.1021/jacs.0c09000

2D Conductive Iron-Quinoid Magnets Ordering up to T c = 105 K via Heterogenous Redox Chemistry
journal, March 2017

  • DeGayner, Jordan A.; Jeon, Ie-Rang; Sun, Lei
  • Journal of the American Chemical Society, Vol. 139, Issue 11
  • DOI: 10.1021/jacs.7b00705

Conductive metal–organic frameworks and networks: fact or fantasy?
journal, January 2012

  • Hendon, Christopher H.; Tiana, Davide; Walsh, Aron
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 38, p. 13120-13132
  • DOI: 10.1039/c2cp41099k

Synthetic Routes for a 2D Semiconductive Copper Hexahydroxybenzene Metal–Organic Framework
journal, September 2018

  • Park, Jihye; Hinckley, Allison C.; Huang, Zhehao
  • Journal of the American Chemical Society, Vol. 140, Issue 44
  • DOI: 10.1021/jacs.8b06666

Demonstration of a Broadband Photodetector Based on a Two‐Dimensional Metal–Organic Framework
journal, January 2020

  • Arora, Himani; Dong, Renhao; Venanzi, Tommaso
  • Advanced Materials, Vol. 32, Issue 9
  • DOI: 10.1002/adma.201907063

A Redox‐Active 2D Metal–Organic Framework for Efficient Lithium Storage with Extraordinary High Capacity
journal, January 2020

  • Jiang, Qiang; Xiong, Peixun; Liu, Jingjuan
  • Angewandte Chemie, Vol. 132, Issue 13
  • DOI: 10.1002/ange.201914395

Proposed Modification of the Graphene Analogue Ni 3 (HITP) 2 To Yield a Semiconducting Material
journal, June 2016

  • Foster, Michael E.; Sohlberg, Karl; Spataru, Catalin D.
  • The Journal of Physical Chemistry C, Vol. 120, Issue 27
  • DOI: 10.1021/acs.jpcc.6b05746

Grid-Type Metal Ion Architectures: Functional Metallosupramolecular Arrays
journal, July 2004

  • Ruben, Mario; Rojo, Javier; Romero-Salguero, Francisco J.
  • Angewandte Chemie International Edition, Vol. 43, Issue 28
  • DOI: 10.1002/anie.200300636

Conductive 2D metal-organic framework for high-performance cathodes in aqueous rechargeable zinc batteries
journal, October 2019


A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
journal, April 2010

  • Grimme, Stefan; Antony, Jens; Ehrlich, Stephan
  • The Journal of Chemical Physics, Vol. 132, Issue 15
  • DOI: 10.1063/1.3382344

Robust and conductive two-dimensional metal−organic frameworks with exceptionally high volumetric and areal capacitance
journal, January 2018


An updated roadmap for the integration of metal–organic frameworks with electronic devices and chemical sensors
journal, January 2017

  • Stassen, Ivo; Burtch, Nicholas; Talin, Alec
  • Chemical Society Reviews, Vol. 46, Issue 11
  • DOI: 10.1039/C7CS00122C

Cu 3 (hexaiminotriphenylene) 2 : An Electrically Conductive 2D Metal-Organic Framework for Chemiresistive Sensing
journal, February 2015

  • Campbell, Michael G.; Sheberla, Dennis; Liu, Sophie F.
  • Angewandte Chemie, Vol. 127, Issue 14
  • DOI: 10.1002/ange.201411854

Linear response approach to the calculation of the effective interaction parameters in the LDA + U method
journal, January 2005


Conductive MOF electrodes for stable supercapacitors with high areal capacitance
journal, October 2016

  • Sheberla, Dennis; Bachman, John C.; Elias, Joseph S.
  • Nature Materials, Vol. 16, Issue 2
  • DOI: 10.1038/nmat4766

High-mobility band-like charge transport in a semiconducting two-dimensional metal–organic framework
journal, October 2018


Atomically precise single-crystal structures of electrically conducting 2D metal–organic frameworks
journal, November 2020


Recent development and applications of electrical conductive MOFs
journal, January 2021


Quantum Spin Liquid State in a Two-Dimensional Semiconductive Metal–Organic Framework
journal, July 2020

  • Misumi, Yuki; Yamaguchi, Akira; Zhang, Zhongyue
  • Journal of the American Chemical Society, Vol. 142, Issue 39
  • DOI: 10.1021/jacs.0c05472

Metal–organic Kagome lattices M 3 (2,3,6,7,10,11-hexaiminotriphenylene) 2 (M = Ni and Cu): from semiconducting to metallic by metal substitution
journal, January 2015

  • Chen, Shuang; Dai, Jun; Zeng, Xiao Cheng
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 8
  • DOI: 10.1039/C4CP05328A

Mixed Valency as a Strategy for Achieving Charge Delocalization in Semiconducting and Conducting Framework Materials
journal, November 2017


Opening Metal–Organic Frameworks Vol. 2: Inserting Longer Pillars into Pillared-Paddlewheel Structures through Solvent-Assisted Linker Exchange
journal, August 2013

  • Karagiaridi, Olga; Bury, Wojciech; Tylianakis, Emmanuel
  • Chemistry of Materials, Vol. 25, Issue 17
  • DOI: 10.1021/cm401724v

Unusual properties of midband states in systems with off-diagonal disorder
journal, February 1994


Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks
journal, September 2018

  • Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi
  • Journal of the American Chemical Society, Vol. 140, Issue 39
  • DOI: 10.1021/jacs.8b08032

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Magnetic ordering through itinerant ferromagnetism in a metal–organic framework
journal, April 2021


Molecular Retrofitting Adapts a Metal–Organic Framework to Extreme Pressure
journal, June 2017


Electrically Conductive Coordination Polymers for Electronic and Optoelectronic Device Applications
journal, February 2021

  • Liu, Hao; Wang, Yongshuai; Qin, Zhengsheng
  • The Journal of Physical Chemistry Letters, Vol. 12, Issue 6
  • DOI: 10.1021/acs.jpclett.0c02988

Spin state switching in iron coordination compounds
journal, January 2013

  • Gütlich, Philipp; Gaspar, Ana B.; Garcia, Yann
  • Beilstein Journal of Organic Chemistry, Vol. 9
  • DOI: 10.3762/bjoc.9.39

Ab initio molecular dynamics for open-shell transition metals
journal, November 1993


A semiconducting gyroidal metal-sulfur framework for chemiresistive sensing
journal, January 2017

  • Huang, Jiahong; He, Yonghe; Yao, Ming-Shui
  • Journal of Materials Chemistry A, Vol. 5, Issue 31
  • DOI: 10.1039/C7TA02069D

Two-dimensional conjugated metal–organic frameworks (2D c -MOFs): chemistry and function for MOFtronics
journal, January 2021

  • Wang, Mingchao; Dong, Renhao; Feng, Xinliang
  • Chemical Society Reviews, Vol. 50, Issue 4
  • DOI: 10.1039/D0CS01160F

Nanorods of a novel highly conductive 2D metal–organic framework based on perthiolated coronene for thermoelectric conversion
journal, January 2020

  • Chen, Zhijun; Cui, Yutao; Jin, Yigang
  • Journal of Materials Chemistry C, Vol. 8, Issue 24
  • DOI: 10.1039/D0TC01778G

Single Crystals of Electrically Conductive Two-Dimensional Metal–Organic Frameworks: Structural and Electrical Transport Properties
journal, December 2019


Interpenetration control in metal–organic frameworks for functional applications
journal, August 2013

  • Jiang, Hai-Long; Makal, Trevor A.; Zhou, Hong-Cai
  • Coordination Chemistry Reviews, Vol. 257, Issue 15-16
  • DOI: 10.1016/j.ccr.2013.03.017

Paramagnetic Conducting Metal–Organic Frameworks with Three‐Dimensional Structure
journal, September 2020

  • Wu, Xiaoyu; Qiu, Yi; Chen, Zhijun
  • Angewandte Chemie International Edition, Vol. 59, Issue 47
  • DOI: 10.1002/anie.202009253

2D Conductive Metal‐Organic Frameworks: An Emerging Platform for Electrochemical Energy Storage
journal, May 2020

  • Liu, Jingjuan; Song, Xiaoyu; Zhang, Ting
  • Angewandte Chemie International Edition
  • DOI: 10.1002/anie.202006102

Cu 3 (hexaiminotriphenylene) 2 : An Electrically Conductive 2D Metal-Organic Framework for Chemiresistive Sensing
journal, February 2015

  • Campbell, Michael G.; Sheberla, Dennis; Liu, Sophie F.
  • Angewandte Chemie International Edition, Vol. 54, Issue 14
  • DOI: 10.1002/anie.201411854

A Microporous and Naturally Nanostructured Thermoelectric Metal-Organic Framework with Ultralow Thermal Conductivity
journal, September 2017


Metal–Organic Framework Magnets
journal, February 2020


2D Semiconducting Metal–Organic Framework Thin Films for Organic Spin Valves
journal, November 2019

  • Song, Xiaoyu; Wang, Xinyue; Li, Yusen
  • Angewandte Chemie International Edition, Vol. 59, Issue 3
  • DOI: 10.1002/anie.201911543

A Ferric Semiquinoid Single-Chain Magnet via Thermally-Switchable Metal–Ligand Electron Transfer
journal, May 2018

  • DeGayner, Jordan A.; Wang, Kunyu; Harris, T. David
  • Journal of the American Chemical Society, Vol. 140, Issue 21
  • DOI: 10.1021/jacs.8b03949

Analysis of XPS spectra of Fe2+ and Fe3+ ions in oxide materials
journal, February 2008


Towards Conducting Metal-Organic Frameworks
journal, January 2011

  • D'Alessandro, Deanna M.; Kanga, Jehan R. R.; Caddy, James S.
  • Australian Journal of Chemistry, Vol. 64, Issue 6
  • DOI: 10.1071/CH11039

Formation enthalpies by mixing GGA and GGA + U calculations
journal, July 2011


Elektrisch leitfähige poröse Metall-organische Gerüstverbindungen
journal, January 2016

  • Sun, Lei; Campbell, Michael G.; Dincă, Mircea
  • Angewandte Chemie, Vol. 128, Issue 11
  • DOI: 10.1002/ange.201506219

Electron delocalization and charge mobility as a function of reduction in a metal–organic framework
journal, June 2018


Effects of Mixed Valency in an Fe-Based Framework: Coexistence of Slow Magnetic Relaxation, Semiconductivity, and Redox Activity
journal, March 2020


Tuning the thermoelectric performance of π–d conjugated nickel coordination polymers through metal–ligand frontier molecular orbital alignment
journal, January 2018

  • Yong, Xue; Shi, Wen; Wu, Gang
  • Journal of Materials Chemistry A, Vol. 6, Issue 40
  • DOI: 10.1039/C8TA07344A

From 2D to 3D: Postsynthetic Pillar Insertion in Electrically Conductive MOF
journal, February 2022


Electronic Conductivity, Ferrimagnetic Ordering, and Reductive Insertion Mediated by Organic Mixed-Valence in a Ferric Semiquinoid Metal–Organic Framework
journal, December 2015

  • Darago, Lucy E.; Aubrey, Michael L.; Yu, Chung Jui
  • Journal of the American Chemical Society, Vol. 137, Issue 50
  • DOI: 10.1021/jacs.5b10385

Electroactive Organic Building Blocks for the Chemical Design of Functional Porous Frameworks (MOFs and COFs) in Electronics
journal, June 2020

  • Souto, Manuel; Strutyński, Karol; Melle‐Franco, Manuel
  • Chemistry – A European Journal, Vol. 26, Issue 48
  • DOI: 10.1002/chem.202001211

Metal-to-Semiconductor Transition in Two-Dimensional Metal–Organic Frameworks: An Ab Initio Dynamics Perspective
journal, May 2021

  • Zhang, Zeyu; Dell’Angelo, David; Momeni, Mohammad R.
  • ACS Applied Materials & Interfaces, Vol. 13, Issue 21
  • DOI: 10.1021/acsami.1c04636

Magnetically ordered molecule-based materials
journal, January 2011


Coordination Programming of Two-Dimensional Metal Complex Frameworks
journal, March 2016


Microscopic coexistence of antiferromagnetic and spin-glass states
journal, June 2013


Signature of Metallic Behavior in the Metal–Organic Frameworks M 3 (hexaiminobenzene) 2 (M = Ni, Cu)
journal, September 2017

  • Dou, Jin-Hu; Sun, Lei; Ge, Yicong
  • Journal of the American Chemical Society, Vol. 139, Issue 39
  • DOI: 10.1021/jacs.7b07234

Coordination polymers for n-type thermoelectric applications
journal, January 2020

  • Lu, Yannan; Young, David James
  • Dalton Transactions, Vol. 49, Issue 23
  • DOI: 10.1039/D0DT00872A

Efficient and tunable one-dimensional charge transport in layered lanthanide metal–organic frameworks
journal, November 2019

  • Skorupskii, Grigorii; Trump, Benjamin A.; Kasel, Thomas W.
  • Nature Chemistry, Vol. 12, Issue 2
  • DOI: 10.1038/s41557-019-0372-0

New Porous Crystals of Extended Metal-Catecholates
journal, August 2012

  • Hmadeh, Mohamad; Lu, Zheng; Liu, Zheng
  • Chemistry of Materials, Vol. 24, Issue 18, p. 3511-3513
  • DOI: 10.1021/cm301194a

Redox-active ligands: Recent advances towards their incorporation into coordination polymers and metal-organic frameworks
journal, July 2021

  • Ding, Bowen; Solomon, Marcello B.; Leong, Chanel F.
  • Coordination Chemistry Reviews, Vol. 439
  • DOI: 10.1016/j.ccr.2021.213891

HLE17: An Efficient Way To Predict Band Gaps of Complex Materials
journal, June 2019

  • Choudhuri, Indrani; Truhlar, Donald G.
  • The Journal of Physical Chemistry C, Vol. 123, Issue 28
  • DOI: 10.1021/acs.jpcc.9b04683

Electrically Conductive Porous Metal-Organic Frameworks
journal, January 2016

  • Sun, Lei; Campbell, Michael G.; Dincă, Mircea
  • Angewandte Chemie International Edition, Vol. 55, Issue 11
  • DOI: 10.1002/anie.201506219

Paramagnetic Conducting Metal–Organic Frameworks with Three‐Dimensional Structure
journal, September 2020


Spin-glass behavior in a three-dimensional antiferromagnet ordered phase: Magnetic structure of Co 2 ( OH ) ( PO 4 )
journal, September 2002


2D Semiconducting Metal–Organic Framework Thin Films for Organic Spin Valves
journal, November 2019


Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent Hubbard U Approach
journal, September 2006