46 citations · 104 across the 7 of their papers we have counts for
7 papers
Accurate non-empirical range-separated hybrid van der Waals density functional for complex molecular problems, solids, and surfaces
Vivekanand Shukla, Yang Jiao, Jung-Hoon Lee +3
We introduce a new, general-purpose, range-separated hybrid van der Waals density \ph{functional, termed vdW-DF-ahbr,} within the non-empirical vdW-DF method [JPCM 32, 393001 (2020…
Cooperative gas adsorption without a phase transition in metal-organic frameworks
Joyjit Kundu, Jurgen. F. Stilck, Jung-Hoon Lee +3
Cooperative adsorption of gases by porous frameworks permits more efficient uptake and removal than does the more usual non-cooperative (Langmuir-type) adsorption. Cooperativity, s…
Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules
Kristian Berland, Yang Jiao, Jung-Hoon Lee +3
Two hybrid van der Waals density functionals (vdW-DFs) are constructed using 25%, Fock exchange with i) the consistent-exchange vdW-DF-cx functional and ii) with the vdW-DF2 functi…
Two Distinct Modes of Hydrogen-Bonding Interaction in the Prototypic Hybrid Halide Perovskite, Tetragonal CH3NH3PbI3
June Ho Lee, Jung-Hoon Lee, Eui-Hyun Kong +1
In spite of the key role of hydrogen bonding in the structural stabilization of the prototypic hybrid halide perovskite, CH3NH3PbI3 (MAPbI3), little progress has been made in our i…
Synthesis, Crystal Structure and Properties of a Perovskite-Related Bismuth Phase, (NH4)3Bi2I9
Shijing Sun, Satoshi Tominaka, Jung-Hoon Lee +3
Organic-inorganic halide perovskites, especially methylammonium lead halide, have recently led to a remarkable breakthrough in photovoltaic devices. However, due to the environment…
Anomalous domain periodicity observed in ferroelectric PbTiO3 nanodots with 180o stripe domains
Jong Yeog Son, Jung-Hoon Lee, Young-Han Shin +1
PbTiO3-based nano-scale dots and tubes have received a great deal of attention owing to their potential applications to nonvolatile memories and multi-functional devices. As for th…
Effects of spin-orbit interaction on magnetic and electronic structures in antiferromagnetic LaFeAsO
Sehoon Oh, Jung-Hoon Lee, Hyun Myung Jang +1
Magnetic and electronic structures in LaFeAsO in the single-stripe-type antiferromagnetic (AFM) phase are studied using first-principles density-functional calculations including t…