Dielectric Relaxation Processes, Electronic Structure, and Band Gap Engineering of MFU-4-type Metal-Organic Frameworks: Towards a Rational Design of Semiconducting Microporous Materials

Structural disorder in molecular framework materials

(2013) Andrew B. Cairns et al.   CHEMICAL SOCIETY REVIEWS

Metal–organic frameworks as platforms for clean energy

(2013) Shun-Li Li et al.   Energy & Environmental Science

Solid-State Structure and Calculated Electronic Structure, Formation Energy, Chemical Bonding, and Optical Properties of Zn4O(FMA)3 and Its Heavier Congener Cd4O(FMA)3

(2013) Li-Ming Yang et al.   INORGANIC CHEMISTRY

Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal

(2013) Wen Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mn2(2,5-disulfhydrylbenzene-1,4-dicarboxylate): A Microporous Metal–Organic Framework with Infinite (−Mn–S−)∞ Chains and High Intrinsic Charge Mobility

(2013) Lei Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A quantum mechanically guided view of Cd-MOF-5 from formation energy, chemical bonding, electronic structure, and optical properties

(2013) Li-Ming Yang et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Structure and Dynamics of the Functionalized MOF Type UiO-66(Zr): NMR and Dielectric Relaxation Spectroscopies Coupled with DFT Calculations

(2012) Sabine Devautour-Vinot et al.   CHEMISTRY OF MATERIALS

Luminescent Properties of Metal–Organic Framework MOF-5: Relativistic Time-Dependent Density Functional Theory Investigations

(2012) Min Ji et al.   INORGANIC CHEMISTRY

Tunability of Band Gaps in Metal–Organic Frameworks

(2012) Chi-Kai Lin et al.   INORGANIC CHEMISTRY

Formation of an intermediate band in isoreticular metal–organic framework-993 (IRMOF-993) and metal-substituted analogues M-IRMOF-993

(2012) Li-Ming Yang et al.   JOURNAL OF MATERIALS CHEMISTRY

Metal–organic frameworks for visible light absorption via anion substitution

(2012) Jung Hoon Choi et al.   JOURNAL OF MATERIALS CHEMISTRY

Reversible gas-phase redox processes catalyzed by Co-exchanged MFU-4l(arge)

(2011) Dmytro Denysenko et al.   CHEMICAL COMMUNICATIONS

Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory

(2011) Loredana Valenzano et al.   CHEMISTRY OF MATERIALS

Elucidating Gating Effects for Hydrogen Sorption in MFU-4-Type Triazolate-Based Metal-Organic Frameworks Featuring Different Pore Sizes

(2011) Dmytro Denysenko et al.   CHEMISTRY-A EUROPEAN JOURNAL

A Roadmap to Implementing Metal-Organic Frameworks in Electronic Devices: Challenges and Critical Directions

(2011) Mark D. Allendorf et al.   CHEMISTRY-A EUROPEAN JOURNAL

Photophysical properties of Kuratowski-type coordination compounds [MIIZn4Cl4(Me2bta)6] (MII = Zn or Ru) featuring long-lived excited electronic states

(2011) Ying-Ya Liu et al.   DALTON TRANSACTIONS

On the Calculation of the Dielectric Permittivity and Relaxation of Molecular Models in the Liquid Phase

(2011) Sereina Riniker et al.   Journal of Chemical Theory and Computation

Delocalization and Mobility of Charge Carriers in Covalent Organic Frameworks

(2011) Sameer Patwardhan et al.   Journal of Physical Chemistry C

Ab initio investigations on the crystal structure, formation enthalpy, electronic structure, chemical bonding, and optical properties of experimentally synthesized isoreticular metal–organic framework-10 and its analogues: M-IRMOF-10 (M = Zn, Cd, Be, Mg, Ca, Sr and Ba)

(2011) Li-Ming Yang et al.   RSC Advances

Conductivity, Doping, and Redox Chemistry of a Microporous Dithiolene-Based Metal−Organic Framework

(2010) Yoji Kobayashi et al.   CHEMISTRY OF MATERIALS

Colossal dielectric constants in transition-metal oxides

(2010) P. Lunkenheimer et al.   European Physical Journal-Special Topics

Syntheses and Magnetostructural Investigations on Kuratowski-Type Homo- and Heteropentanuclear Coordination Compounds [MZn4Cl4(L)6] (MII= Zn, Fe, Co, Ni, or Cu; L = 5,6-Dimethyl-1,2,3-benzotriazolate) Represented by the NonplanarK3,3Graph

(2010) Shyam Biswas et al.   INORGANIC CHEMISTRY

Theoretical Investigations on the Chemical Bonding, Electronic Structure, And Optical Properties of the Metal−Organic Framework MOF-5

(2010) Li-Ming Yang et al.   INORGANIC CHEMISTRY

Metal–organic frameworks as semiconductors

(2010) Cláudia Gomes Silva et al.   JOURNAL OF MATERIALS CHEMISTRY

Molecular Relaxation Processes in a MOF-5 Structure Revealed by Broadband Dielectric Spectroscopy: Signature of Phenylene Ring Fluctuations

(2010) Stefan Frunza et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water and ethanol desorption in the flexible metal organic frameworks, MIL-53 (Cr, Fe), investigated by complex impedance spectrocopy and density functional theory calculations

(2010) Sabine Devautour-Vinot et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A cubic coordination framework constructed from benzobistriazolate ligands and zinc ions having selective gas sorption properties

(2009) Shyam Biswas et al.   DALTON TRANSACTIONS

Electroconductive Porous Coordination Polymer Cu[Cu(pdt)2] Composed of Donor and Acceptor Building Units

(2008) Shinya Takaishi et al.   INORGANIC CHEMISTRY

Mechanism of charge transport in self-organizing organic materials

(2008) Ferdinand C. Grozema et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Accurate solid-state band gaps via screened hybrid electronic structure calculations

(2008) Edward N. Brothers et al.   JOURNAL OF CHEMICAL PHYSICS

Dipolar molecular rotors in the metal–organic framework crystal IRMOF-2

(2008) Erick B. Winston et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tunability of electronic band gaps from semiconducting to metallic states via tailoring Zn ions in MOFs with Co ions

(2008) Jung Hoon Choi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS