scispace - formally typeset
Search or ask a question
Author

Kwang S. Kim

Bio: Kwang S. Kim is an academic researcher from Ulsan National Institute of Science and Technology. The author has contributed to research in topics: Ab initio & Graphene. The author has an hindex of 97, co-authored 642 publications receiving 62053 citations. Previous affiliations of Kwang S. Kim include Asia Pacific Center for Theoretical Physics & IBM.


Papers
More filters
Journal ArticleDOI
TL;DR: In this paper, theoretical studies of the optical properties of self-assembled nanolenses, spintronics of carbon-based materials, and molecular electronics for fast DNA sequencing are discussed.
Abstract: We briefly discuss theoretical studies of the optical properties of self-assembled nanolenses, spintronics of carbon-based materials, and molecular electronics for fast DNA sequencing. We address the super-resolution phenomena of nanolenses, the supermagnetoresistance phenomena of graphene nanoribbon spin valves, and ultrafast DNA sequencing based on the 2-dimensional conductance of a graphene nanoribbon on a nanochannel.

21 citations

Journal ArticleDOI
TL;DR: It is found that the conduction band edge is mainly dominated by surface atoms, and that a larger number of surface atoms for the tube is likely to increase the bandwidth, thus reducing the optical bandgap.
Abstract: We investigate nontrivial surface effects on the optical properties of self-assembled crystalline GaN nanotubes grown on Si substrates. The excitonic emission is observed to redshift by ∼100 meV with respect to that of bulk GaN. We find that the conduction band edge is mainly dominated by surface atoms, and that a larger number of surface atoms for the tube is likely to increase the bandwidth, thus reducing the optical bandgap. The experimental findings can have important impacts in the understanding of the role of surfaces in nanostructured semiconductors with an enhanced surface/volume ratio.

21 citations

Journal ArticleDOI
01 May 2021-Small
TL;DR: In this paper, Na/Al codoped Li-excess Li-Ru-Ni-O layered electrodes are demonstrated with defects/dislocations as an efficient bifunctional electrocatalyst toward lithium-ion battery (LIB) and oxygen evolution reaction (OER).
Abstract: The rational design of bifunctional electrocatalyst through simple synthesis with high activity remains a challenging task. Herein, Na/Al codoped Li-excess Li-Ru-Ni-O layered electrodes are demonstrated with defects/dislocations as an efficient bifunctional electrocatalyst toward lithium-ion battery (LIB) and oxygen evolution reaction (OER). Toward LIB cathode, specific capacity of 173 mAh g-1 (0.2C-rate), cyclability (>95.0%), high Columbic efficiency (99.2%), and energy efficiency (90.7%) are achieved. The codoped electrocatalyst has exhibited OER activity at a low onset potential (270 mV@10 mA cm-2 ), with a Tafel slope 69.3 mV dec-1 , and long-term stability over 36 h superior to the undoped and many other OER electrocatalysts including the benchmark IrO2 . The concurrent doping resides in the crystal lattice (where Na shows the pillaring effect to improve facile Li diffusion), Al improves the stabilization of the layered structure, and defective structures provide abundant active sites to accelerate OER reactions.

20 citations

Journal ArticleDOI
TL;DR: A highly selective receptor for serotonin was designed using cages formed by the (R)-lipo-diaza-18-crown-6 self-assembled monolayer on gold and experimentally verified by a variety of electrochemical experiments in solutions containing large amounts of dopamine and ascorbic acid.
Abstract: A highly selective receptor for serotonin was designed using cages formed by the (R)-lipo-diaza-18-crown-6 self-assembled monolayer (SAM) on gold and experimentally verified by a variety of electrochemical experiments in solutions containing large amounts of dopamine and ascorbic acid, as well as other interferents. The molecular modeling study showed that parameters such as the H-pi interaction provided important driving forces for the cage to form a strong inclusion complex with serotonin. The charge-transfer resistance (R(CT)'s) to/from redox probe ions, Fe(CN)(6)(3-/4-), was greatly enhanced because of their electrostatic attractions to ammonium ions of serotonin molecules captured by cages. The changes in R(CT)-values were shown to be remarkably selective for serotonin in the presence of many interferents.

20 citations


Cited by
More filters
Journal ArticleDOI

[...]

08 Dec 2001-BMJ
TL;DR: There is, I think, something ethereal about i —the square root of minus one, which seems an odd beast at that time—an intruder hovering on the edge of reality.
Abstract: There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality. Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

33,785 citations

01 May 1993
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

29,323 citations

Journal ArticleDOI
TL;DR: QUANTUM ESPRESSO as discussed by the authors is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).
Abstract: QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.

19,985 citations

28 Jul 2005
TL;DR: PfPMP1)与感染红细胞、树突状组胞以及胎盘的单个或多个受体作用,在黏附及免疫逃避中起关键的作�ly.
Abstract: 抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1(PfPMP1)与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用,在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员,通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

18,940 citations