623 citations · 797 across the 7 of their papers we have counts for
7 papers
Tunable spin-phonon polarons in a chiral molecular qubit framework
Aimei Zhou, Ruihao Bi, Zhenghan Zhang +22
Chiral structures that produce asymmetric spin-phonon coupling can theoretically generate spin-phonon polarons -- quasiparticles exhibiting non-degenerate spin states with phonon d…
Robust Chemiresistive Behavior in Conductive Polymer/MOF Composites
Heejung Roh, Dong-Ha Kim, Yeongsu Cho +5
Metal-organic frameworks (MOFs) are promising materials for gas sensing but are often limited to single-use detection. We demonstrate a hybridization strategy synergistically deplo…
Observing Nearby Nuclei on Paramagnetic Trityls and MOFs via DNP and Electron Decoupling
Kong Ooi Tan, Luming Yang, Michael Mardini +4
Dynamic nuclear polarization (DNP) is an NMR sensitivity enhancement technique that mediates polarization transfer from unpaired electrons to NMR-active nuclei. Despite its success…
Molecular understanding of charge storage and charging dynamics in supercapacitors with MOF electrodes and ionic liquid electrolytes
Sheng Bi, Ming Chen, Runxi Wang +4
We present a computational microscopy analysis (targeted molecular dynamics simulations) of the structure and performance of conductive metal organic framework (MOF) electrodes in…
Rapid and Precise Determination of Zero-Field Splittings by Terahertz Time-Domain Electron Paramagnetic Resonance Spectroscopy
Jian Lu, I. Ozge Ozel, Carina Belvin +7
Zero-field splitting (ZFS) parameters are fundamentally tied to the geometries of metal ion complexes. Despite their critical importance for understanding the magnetism and spectro…
Conetronics in 2D Metal-Organic Frameworks: Double Dirac Cones, Magnetic Half Dirac Cones and Quantum Anomalous Hall Effect
Menghao Wu, Zhijun Wang, Junwei Liu +8
Based on recently synthesized Ni3C12S12 class 2D metal-organic frameworks, we predict electronic properties of M3C12S12 and M3C12O12, where M is Zn, Cd, Hg, Be, or Mg with no M orb…
First-Principles Design of a Half-Filled Flat Band of the Kagome Lattice in Two-Dimensional Metal-Organic Frameworks
Masahiko G. Yamada, Tomohiro Soejima, Naoto Tsuji +3
We design from first principles a new type of two-dimensional metal-organic frameworks (MOFs) using phenalenyl-based ligands to exhibit a half-filled flat band of the kagome lattic…