Publications
*Corresponding author(s)
†Co-first authors
Underlined for members of Computational Materials Design Laboratory
YEAR 2024
103. Jeongho Seong, Ki Jin Nam, Heseong An, Seungho Yu, Ju Ho Shin, Ki Chul Kim, Sung Gu Kang, Karri Sesha Surya Vara Prasad Reddy, Do-Young Hong, Seok-Jhin Kim, and Jong Suk Lee,* Highly permeable mixed matrix membranes for gas separation via dual defect-engineered zeolitic imidazolate framework-8, Small, in press. (I.F. 13.3)
102. Yuan Lu,† Byoung Guan Lee,† Cheng Lin, Tae-Kyung Liu, Zhipeng Wang, Jiaming Miao, Sang Ho Oh, Ki Chul Kim,* Kan Zhang,* and Jong Hyeok Park,* Solar-driven highly selective glycerol to dihydroxyacetone conversion using surface atom engineered BiVO4 photoanode, Nature Communications, in press. (I.F. 16.6)
A Sister Journal to Nature
101. Hyun Gu Han, Jae Won Choi, Minsu Son, and Ki Chul Kim,* Unlocking power of neighboring vacancies in boosting hydrogen evolution reactions on two-dimensional NiPS3 monolayer, eScience, 4 (2024), 100204. (Scopus Cite Score 33.7)
100. Bomi Kim,† Yeongnam Ko,† Woo Jin Mun, Ki Chul Kim,* and Jong Hak Kim,* Synthesis and self-assembly of bottlebrush block copolymer electrolytes for solid-state supercapacitors, Chemical Engineering Journal, 489 (2024), 151400. (I.F. 15.1)
99. Chae Young Go, Juyeon Shin, Min Kyu Choi, In Hwan Jung, and Ki Chul Kim,* Switchable design of redox-enhanced nonaromatic quinones enabled by conjugation recovery, Advanced Materials, 36 (2024), 2311155. (I.F. 29.4)
[The Chosun Daily] [DAILY BIZON] [ZDNET Korea] [Daily Magazine] [UNN] [metro] [Energy Newspaper] [STUDY IN KOREA NEWS]
98. Jae Won Choi and Ki Chul Kim,* Computational understanding of effect of alkali earth metal dopants on dehydrogenation thermodynamics of MgH2 nanoparticles, The Journal of Physical Chemistry C, 128 (2024), 4448-4458. (I.F. 3.7)
97. Chae Young Go and Ki Chul Kim,* Rational design of reliable computational protocols for predicting dielectric constants of gaseous molecules, The Journal of Physical Chemistry A, 128 (2024), 2245-2252. (I.F. 2.9)
96. P. Anil Kumar Reddy, Hyun Gu Han, Ki Chul Kim, and Sungjun Bae,* Rational synthesis of S‑scheme CdS/SnS2 photocatalysts with isolated redox cocatalysts for enhanced H2 production, ACS Sustainable Chemistry & Engineering, 12 (2024), 4979-4992. (I.F. 8.4)
95. Jae Won Choi and Ki Chul Kim,* Computational modulation in electronic structures of halide perovskites via element/dopant/phase, Langmuir, 40 (2024), 221-229. (I.F. 3.9)
94. Du Ru Kang, Gi Hyo Sim, So Youn Lee, Jae Hun Lee,* Ki Chul Kim,* and Jong Hak Kim,* Rapid and facile preparation of freestanding dense polymer membranes from high-boiling-point solvents for anion exchange membrane water electrolyzers, Chemical Engineering Journal, 480 (2024), 147991. (I.F. 15.1)
YEAR 2023
93. Songi Song and Ki Chul Kim,* Computational insights into degradation probability of small fluorocarbon compounds, Industrial & Engineering Chemistry Research, 62 (2023), 16495-16502. (I.F. 4.2)
92. P. Anil Kumar Reddy, Hyungu Han, Ki Chul Kim, and Sungjun Bae,* Synthesis of ZIF-67-derived CoS2@graphitic carbon/reduced graphene oxide for supercapacitor application, Chemical Engineering Journal, 471 (2023), 144608. (I.F. 16.744)
91. Jae Seung Seol, Seungho Yu, and Ki Chul Kim,* Dopant-induced electronic design of redox-active elements in LiMn2O4 spinel structures, Physical Chemistry Chemical Physics, 25 (2023), 14074-14083. (I.F. 3.945)
90. Siku Choi, Songi Song, Yeongnam Ko, and Ki Chul Kim,* Impact of structural flexibility of amine moieties as bridges for redox-active sites on secondary battery performance, ChemSusChem, 16 (2023), e202300219. (I.F. 9.140)
89. Min Kyu Choi and Ki Chul Kim,* Strategic development of dielectric strength prediction protocol for perfluorocarbon and nonperfluorocarbon compounds, Applied Sciences, 13 (2023), 4318. (I.F. 2.838)
88. Jeong Pil Kim, Chae Young Go, Junhyeok Kang, Yunkyu Choi, Ju Yeon Kim, Jiwon Kim, Ohchan Kwon, Ki Chul Kim, and Dae Woo Kim,* Nanoporous multilayer graphene oxide membrane for forward osmosis metal ion recovery from spent Li-ion batteries, Journal of Membrane Science, 676 (2023), 121590. (I.F. 10.530)
87. Junhyeok Kang, Yeongnam Ko, Jeong Pil Kim, Ju Yeon Kim, Jiwon Kim, Ohchan Kwon, Ki Chul Kim, and Dae Woo Kim,* Microwave-assisted design of nanoporous graphene membrane for ultrafast and switchable organic solvent nanofiltration, Nature Communications, 14 (2023), 901. (I.F. 17.694)
86. Do-Young Go, Dae-Han Lee, Dong-Geun Lee, Jae Seung Seol, Ki Chul Kim, and Sungki Lim,* Effects of cesium addition on the properties of Na+-β/β"-alumina solid electrolyte, Journal of the European Ceramic Society, 43 (2023), 2013-2022. (I.F. 6.364)
85. Hyungu Han, Chae Young Go, and Ki Chul Kim,* Dopant-based modulation of structural, electronic, and electrochemical properties of Li-excessive Li2NiO2 cathodes, Current Applied Physics, 48 (2023), 1-10. (I.F. 2.856)
YEAR 2022
84. P. Anil Kumar Reddy, Hyungu Han, Ki Chul Kim, and Sungjun Bae,* Heterostructured NiCo2S4@SnS2 hybrid for all-solid-state supercapacitor applications: delocalized charges on Co−S heterojunction improved electrochemical kinetics, ACS Applied Energy Materials, 5 (2022), 13751-13762. (I.F. 6.959)
83. Ki Jin Nam, Hyun Jung Yu, Seungho Yu, Jeongho Seong, Seok-Jhin Kim, Ki Chul Kim, and Jong Suk Lee,* In situ synthesis of multivariate zeolitic imidazolate frameworks for C2H4/C2H6 kinetic separation, Small Methods, 6 (2022), 2200772. (I.F. 15.367)
82. Jae Won Choi, Seokhee Shin, Soo Youp Park, Pil-Sang Youn, Seungho Yu, Daewook Kim, Jeong-Hoo Choi,* and Ki Chul Kim,* Temperature difference-based fouling detection in the heat exchanger of gas-solid fluidized beds, Chemical Engineering & Technology, 45 (2022), 1623-1630. (I.F. 2.215)
81. Wooyoung Choi, Seung Eun Choi, Jae Seung Seol, Jeong Pil Kim, Minsu Kim, Hyungjoon Ji, Ohchan Kwon, Hanim Kim, Ki Chul Kim, and Dae Woo Kim,* Polyethylene oxide-intercalated nanoporous graphene membranes for ultrafast H2/CO2 separation: role of graphene confinement effect on gas molecule binding, Journal of Membrane Science, 660 (2022), 120821. (I.F. 10.530)
80. Jae Won Choi, Yo-Sep Min,* and Ki Chul Kim,* Mechanistic mapping of ozone-dosed Al2O3 atomic layer deposition half-cycles, Industrial & Engineering Chemistry Research, 61 (2022), 9695-9702. (I.F. 4.326)
79. Yongju Kim, Jae Seung Seol, Ku Hyun Jung, Hyungu Han, and Ki Chul Kim,* Effective nitrogen incorporation for high-potential anthracene cathodes with conjugated frameworks, Advanced Theory and Simulations, 5 (2022), 2200242. (I.F. 4.105)
78. Hoyoung Lee, Sohee Lim, and Ki Chul Kim,* Modulation of backbone architecture to design structurally durable tetracyanoquinodimethane derivatives with high redox activity, ACS Applied Energy Materials, 5 (2022), 7791-7801. (I.F. 6.959)
77. Jaegwan Shin, Minhee Choi, Chae Young Go, Sungjun Bae, Ki Chul Kim, and Kangmin Chon,* NaOH-assisted H2O2 post-modification as a novel approach to enhance adsorption capacity of residual coffee waste biochars toward radioactive strontium: experimental and theoretical studies, Journal of Hazardous Materials, 435 (2022), 129081. (I.F. 14.224)
76. Joonho Jang, Ku Hyun Jung, and Ki Chul Kim,* Development of computational design for reliable prediction of dielectric strengths of perfluorocarbon compounds, Scientific Reports, 12 (2022), 7027. (I.F. 4.996)
75. Miso Kang,† Ki Chul Kim,† Su Bin Min, Hyo Jun Min, So Youn Lee, Bo Ryoung Park, Jeong-Hoon Kim,* and Jong Hak Kim,* Highly CO-selective mixed-matrix membranes incorporated with Ag nanoparticle-impregnated MIL-101 metal-organic frameworks, Chemical Engineering Journal, 435 (2022), Part 1, 134803. (I.F. 16.744)
74. Ku Hyun Jung and Ki Chul Kim,* Strategic design for sumanene-derived organic cathodes with tailored redox activity, Advanced Theory and Simulations, 5 (2022), 2100529. (I.F. 4.105)
73. Heseong An, Kie Yong Cho, Seungho Yu, Ki Chul Kim, Ju Ho Shin, Ki Jin Nam, Jung Hoon Park, and Jong Suk Lee,* Triple-ligand zeolitic imidazolate frameworks for highly CO2 selective mixed matrix membranes, Chemical Engineering Journal, 433 (2022), Part 2, 133606. (I.F. 16.744)
72. Ji Min Han,† Sang Eun Yoon,† Ku Hyun Jung, Onyu Bae, Donguk Kim, Unjeong Kim, Hyungtak Seo, Felix Sunjoo Kim, Ki Chul Kim, Jong H. Kim,* and Bong-Gi Kim,* Dopant-dependent thermoelectric performance of indoloindole-selenophene based conjugated polymer, Chemical Engineering Journal, 431 (2022), 133779. (I.F. 16.744)
71. Chang Soo Lee, Miso Kang, Ki Chul Kim,* and Jong Hak Kim,* In-situ formation of asymmetric thin-film, mixed-matrix membranes with ZIF-8 in dual-functional imidazole-based comb copolymer for high-performance CO2 capture, Journal of Membrane Science, 642 (2022), 119913. (I.F. 10.530)
YEAR 2021
70. Ku Hyun Jung, Sohee Lim, Siku Choi, and Ki Chul Kim,* Unraveling three-stage discharging behaviors of bio-inspired organic cathode materials, Advanced Functional Materials, 31 (2021), 2105285. (I.F. 19.924)
[The Chosun Daily] [power electronics] [NewsWire] [UNN] [DailySmart] [THE TECH] [PRESSMAN]
69. Kyungeun Jung, Kwonwoo Oh, Du Hyeon Kim, Jae Won Choi, Ki Chul Kim, and Man-Jong Lee,* Ambient-air fabrication of stable mixed cation perovskite planar solar cells with efficiencies exceeding 22% using a synergistic mixed antisolvent with complementary properties, Nano Energy, 89 (2021), 106387. (I.F. 19.069)
68. Chae Young Go, Seung Soon Jang,* and Ki Chul Kim,* Tailored design of electrochemically degradable anthraquinone functionality toward organic cathodes, ACS Applied Materials & Interfaces, 13 (2021), 35729-35738. (I.F. 10.383)
67. Seung-Ik Kim, Ah-Reum Kim, Hyun Jin Bae, Seo-Yul Kim, Seenu Ravi, Ki Chul Kim, and Youn-Sang Bae,* Cu(I)-incorporation strategy for developing styrene selective adsorbents, Chemical Engineering Journal, 425 (2021), 130601. (I.F. 16.744)
66. Kyungeun Jung, Weon-Sik Chae, Jae Won Choi, Ki Chul Kim, and Man-Jong Lee* Synergistic passivation of MAPbI3 perovskite solar cells by compositional engineering using acetamidinium bromide additives, Journal of Energy Chemistry, 59 (2021), 755-762. (I.F. 13.599)
65. Dae Kyeum Lee, Gyeong Seok Jeong, and Ki Chul Kim,* Unexpected electrochemical behavior of crown-based organic compounds for lithium-ion battery cathodes, Industrial & Engineering Chemistry Research, 60 (2021), 7764-7774. (I.F. 4.326)
64. Gyeong Seok Jeong, Sohee Lim, Dae Kyeum Lee, and Ki Chul Kim,* Tailoring impact of carbonyl functionalities on electrochemical redox properties of anthraquinone, The Journal of Physical Chemistry C, 125 (2021), 8208-8215. (I.F. 4.177)
63. Chae Young Go, Sohee Lim, Jaemin Lee, and Ki Chul Kim,* Toward coupling of electrochemical redox properties with electrostatic potential surfaces tailored by dopant architectures for pyrenetetrone, Energy Storage Materials, 35 (2021), 610-619. (I.F. 20.831)
62. Na Un Kim, Jeong-Hoon Kim, Bo Ryoung Park, Ki Chul Kim,* and Jong Hak Kim,* Solid-state facilitated transport membrane for CO/N2 separation based on PHMEP-co-PAA comb-like copolymer: experimental and molecular simulation study, Journal of Membrane Science, 620 (2021), 118939. (I.F. 10.530)
YEAR 2020
61. Kyungeun Jung, Du Hyeon Kim, Jaemin Kim, Sunglim Ko, Jae Won Choi, Ki Chul Kim, Sang-Geul Lee, and Man-Jong Lee,* Influence of a UV-ozone treatment on amorphous SnO2 electron selective layers for highly efficient planar MAPbI3 perovskite solar cells, Journal of Materials Science & Technology, 59 (2020), 195-202. (I.F. 10.320)
60. Sang Eun Yoon, Jaehong Park, Ji Eon Kwon, Sang Yeon Lee, Ji Min Han, Chae Young Go, Siku Choi, Ki Chul Kim, Hyungtak Seo,* Jong H. Kim,* and Bong-Gi Kim,* Improvement of electrical conductivity in conjugated polymers through cascade doping with small-molecular dopants, Advanced Materials, 32 (2020), 2005129. (I.F. 32.086)
59. Gyeong Seok Jeong,† Ku Hyun Jung,† Siku Choi, and Ki Chul Kim,* Electrochemical characteristics of cyanoquinones as organic cathodes for high-potential sodium-ion batteries, ACS Sustainable Chemistry & Engineering, 8 (2020), 11328-11336. (I.F. 9.224)
58. Gyeong Seok Jeong, Dae Kyeum Lee, and Ki Chul Kim,* Crucial role of cyanides for high-potential electrochemical reduction reaction, Energy Storage Materials, 29 (2020), 140-148. (I.F. 20.831)
57. Jae Won Choi, So-Yeon Ham, Suhyun Lee, Da-Som Shin, Yo-Sep Min,* and Ki Chul Kim,* Unveiled understanding on thermodynamic mechanisms of atomic layer deposition based on trimethylaluminum and water precursors, Industrial & Engineering Chemistry Research, 59 (2020), 13325-13332. (I.F. 4.326)
56. Ki Chul Kim* and Seung Soon Jang,* Molecular simulation study on factors affecting carbon dioxide adsorption on amorphous silica surfaces, The Journal of Physical Chemistry C, 124 (2020), 12580-12588. (I.F. 4.177)
55. Hyeonhu Bae, Yongbum Lee, Hoonkyung Lee, Jin Sik Choi,* Ki Chul Kim, and Tanveer Hussain, Physisorption and chemisorption of SF6 by transition metal-porphyrin structure embedded on graphene surface with different hapticities, Journal of the Korean Physical Society, 76 (2020), 1001-1004. (I.F. 0.657)
54. Chae Young Go and Ki Chul Kim,* Electrochemical energy storage capability of pyrenetetrone derivatives tailored by nitrogen dopants, The Journal of Physical Chemistry C, 124 (2020), 10815-10822. (I.F. 4.177)
53. Tianyuan Liu,† Ki Chul Kim,† Byeongyong Lee,† Shikai Jin, Michael Lee, Mochen Li, Suguru Noda, Seung Soon Jang,* and Seung Woo Lee,* Enhanced lithium storage of an organic cathode via bipolar mechanism, ACS Applied Energy Materials, 3 (2020), 3728-3735. (I.F. 6.959)
52. Ku Hyun Jung and Ki Chul Kim,* Insights on redox properties of sumanene derivatives for high-performance organic cathodes, ACS Applied Materials & Interfaces, 12 (2020), 8333-8341. (I.F. 10.383)
51. Ku Hyun Jung, Gyeong Seok Jeong, Chae Young Go, and Ki Chul Kim,* Conjugacy of organic cathode materials for high-potential lithium-ion batteries: carbonitriles versus quinones, Energy Storage Materials, 24 (2020), 237-246. (I.F. 20.831)
YEAR 2019
50. Jun-Hyun Mo, Ki Chul Kim,* and Kwang-Suk Jang,* Well-dispersed carbon nanotube/polymer composite films and application to electromagnetic interference shielding, Journal of Industrial and Engineering Chemistry, 80 (2019), 190-196. (I.F. 6.760)
49. Chae Young Go, Gyeong Seok Jeong, and Ki Chul Kim,* Pyrenetetrone derivatives tailored by nitrogen dopants for high-potential cathodes in lithium-ion batteries, iScience, 21 (2019), 206-216. (I.F. 6.107)
48. Ku Hyun Jung, Gyeong Seok Jeong, Ji Bong Joo,* and Ki Chul Kim,* Improving the Understanding of the Redox Properties of Fluoranil Derivatives for Cathodes in Sodium‐Ion Batteries, ChemSusChem, 12 (2019), 4968-4975. (I.F. 9.140)
47. Kihoon Kim, Dong A Kang, Jung Tae Park, Ki Chul Kim,* and Jong Hak Kim,* Synthesis, structure and gas separation properties of ethanol-soluble, amphiphilic POM-PBHP comb copolymers, Polymer, 180 (2019), 121700. (I.F. 4.432)
46. Dae Kyeum Lee, Chae Young Go, and Ki Chul Kim,* Li-binding thermodynamics and redox properties of BNOPS-based organic compounds for cathodes in lithium-ion batteries, ACS Applied Materials & Interfaces, 11 (2019), 31972-31979. (I.F. 10.383)
45. Ki Chul Kim,†* Tianyuan Liu,† Ku Hyun Jung, Seung Woo Lee,* and Seung Soon Jang,* Unveiled correlations between electron affinity and solvation in redox potential of quinone-based sodium-ion batteries, Energy Storage Materials, 19 (2019), 242-250. (I.F. 20.831)
YEAR 2018
44. Omar Allam, Byung Woo Cho, Ki Chul Kim,* and Seung Soon Jang,* Application of DFT-based machine learning for developing molecular electrode materials in Li-ion batteries, RSC Advances, 8 (2018), 39414-39420. (I.F. 4.036)
43. Omar Allam, Colin Homles, Zev Greenberg, Ki Chul Kim, and Seung Soon Jang,* Density functional theory ‐ machine learning approach to analyze band gap of elemental halide perovskites and ruddlesden‐popper phases, ChemPhysChem, 19 (2018), 2559-2565. (I.F. 3.520)
42. Inkyu Lee, Ji Eon Kwon, Yeongkwon Kang, Ki Chul Kim, and Bong-Gi Kim,* Instantaneous detection of trichlorinated carbon via photo-induced electron transfer toward chemosensor for toxic organochlorides, ACS Sensors, 3 (2018), 1831-1837. (I.F. 9.618)
41. Seo-Yul Kim, Tae-Ung Yoon, Jo Hong Kang, Ah-Reum Kim, Tea-Hoon Kim, Seung-Ik Kim, Wanje Park, Ki Chul Kim,* and Youn-Sang Bae,* Observation of olefin/paraffin selectivity in azo compound and its application into a metal-organic framework, ACS Applied Materials & Interfaces, 10 (2018), 27521-27530. (I.F. 10.383)
40. Yuntong Zhu, Ki Chul Kim,* and Seung Soon Jang,* Boron-doped coronenes with high redox potential for organic positive electrodes in lithium-ion batteries: a first-principles density functional theory modeling study, Journal of Materials Chemistry A, 6 (2018), 10111-10120. (I.F. 14.511)
39. Jiwoong Kang, Ki Chul Kim,* and Seung Soon Jang,* Density functional theory modeling-assisted investigation of thermodynamics and redox properties of boron-doped corannulenes for cathodes in lithium-ion batteries, The Journal of Physical Chemistry C, 122 (2018), 10675-10681. (I.F. 4.177)
38. Ki Chul Kim* and Seung Soon Jang,* Effects of thermal shrinkage temperatures and comonomers on thermal shrinkage of uniaxially-stretched PET copolymer films: a molecular dynamics simulation approach, New Journal of Chemistry, 42 (2018), 4991-4997. (I.F. 3.925)
37. Ki Chul Kim,* A review on design strategies for metal hydrides with enhanced reaction thermodynamics for hydrogen storage applications, International Journal of Energy Research, 42 (2018), 1455-1468. (I.F. 4.672)
36. Parveen Sood, Ki Chul Kim,* and Seung Soon Jang,* Electrochemical properties of boron-doped fullerene derivatives for lithium-ion battery applications, ChemPhysChem, 19 (2018), 753-758. (I.F. 3.520)
35. Parveen Sood, Ki Chul Kim,* and Seung Soon Jang,* Electrochemical and electronic properties of nitrogen doped fullerene and its derivatives for lithium-ion battery applications, Journal of Energy Chemistry, 27 (2018), 528-534. (I.F. 13.599)
34. Hyungmo Yang, Hyeonhu Bae, Minwoo Park, Seunghan Lee, Ki Chul Kim, and Hoonkyung Lee,* Fe-porphyrin-like nanostructures for selective ammonia capture under humid conditions, The Journal of Physical Chemistry C, 122 (2018), 2046-2052. (I.F. 4.177)
33. Ki Chul Kim,* Design strategies for metal-organic frameworks selectively capturing harmful gases, Journal of Organometallic Chemistry, 854 (2018), 94-105. (I.F. 2.345)
32. Ki Chul Kim* and Seung Soon Jang,* Molecular dynamics simulation study on the structural properties of poly (ethylene terephthalate) under uniaxial extension and thermal shrinkage processes, Current Applied Physics, 18 (2018), 19-26. (I.F. 2.856)
YEAR 2017
31. Ki Chul Kim,* David Fairen-Jimenez, and Randall Q. Snurr,* Computational screening of functional groups for capture of toxic industrial chemicals in porous materials, Physical Chemistry Chemical Physics, 19 (2017), 31766-31772. (I.F. 3.945)
30. Ki Chul Kim,* Design strategies for promising organic positive electrodes in lithium-ion batteries: quinones and carbon materials, Industrial & Engineering Chemistry Research, 56 (2017), 12009-12023. (I.F. 4.326)
29. Soonchul Kwon, Hyuk Jae Kwon, Ji Il Choi, Ki Chul Kim, Jeong Gil Seo, Jung Eun Park, Su Jin You, Eun Duck Park, Seung Soon Jang,* and Hyun Chul Lee,* Enhanced selectivity for CO2 adsorption on mesoporous silica with alkali metal halide due to electrostatic field: a molecular simulation approach, ACS Applied Materials & Interfaces, 9 (2017), 31683-31690. (I.F. 10.383)
28. Jong Hoo Park, Tianyuan Liu, Ki Chul Kim,* Seung Woo Lee,* and Seung Soon Jang,* Systematic molecular design of ketone derivatives of aromatic molecules for lithium-ion batteries: first-principles DFT modeling, ChemSusChem, 10 (2017), 1584-1591. (I.F. 9.140)
27. Tianyuan Liu,† Ki Chul Kim,† Byeongyong Lee, Zhongming Chen, Suguru Noda, Seung Soon Jang,* and Seung Woo Lee,* Self-polymerized dopamine as an organic cathode for Li- and Na-ion batteries, Energy & Environmental Science, 10 (2017), 205-215. (I.F. 39.714)
Selected for Themed Collection in 2017 Energy & Environmental Science Editorial HOT Articles
26. Hanjong Yoo, Ki Chul Kim,* and Seung Soon Jang,* Blends of poly(3-alkylthiophene) and [6,6]-phenyl-C61-butyric acid methyl ester for organic photovoltaic cell applications: Multi-scale modeling approach, Computational Materials Science, 126 (2017), 299-307. (I.F. 3.572)
YEAR 2016
25. Seung-Joon Lee,† Ki Chul Kim,† Tae-Ung Yoon, Min-Bum Kim, and Youn-Sang Bae,* Selective dynamic separation of Xe and Kr in Co-MOF-74 through strong binding strength between Xe atom and unsaturated Co2+ site, Microporous and Mesoporous Materials, 236 (2016), 284-291. (I.F. 5.876)
24. Su-Kyung Lee, Geeta Hundal, Ki Chul Kim, Ji-Sun Lee, Kyung-Ho Cho, Yound Kyu Hwang, U-Hwang Lee, and Jong-San Chang,* Isomorphous substitution of copper in nickel phosphate and their separation of propylene over propane, Journal of Nanoscience and Nanotechnology, 16 (2016), 9141-9148. (I.F. 1.134)
23. Sunghee Kim, Ki Chul Kim,* Seung Woo Lee,* and Seung Soon Jang,* Thermodynamic and redox properties of graphene oxides for lithium-ion battery applications: a first-principles density functional theory modeling approach, Physical Chemistry Chemical Physics, 18 (2016), 20600-20606. (I.F. 3.945)
22. Ki Chul Kim, Eric G. Moschetta, Christopher W. Jones,* and Seung Soon Jang,* Molecular dynamics simulations of aldol condensation catalyzed by alkylamine-functionalized crystalline silica surfaces, Journal of the American Chemical Society, 138 (2016), 7664-7672. (I.F. 16.383)
21. Ki Chul Kim, Tae-Ung Yoon, and Youn-Sang Bae,* Applicability of using CO2 adsorption isotherms to determine BET surface areas of microporous materials, Microporous and Mesoporous Materials, 224 (2016), 294-301. (I.F. 5.876)
20. Ki Chul Kim, Tianyuan Liu, Seung Woo Lee,* and Seung Soon Jang,* First-principles density functional theory modeling of Li binding: Thermodynamics and redox properties of quinone derivatives for lithium-ion batteries, Journal of the American Chemical Society, 138 (2016), 2374-2382. (I.F. 16.383)
YEAR 2015
19. Tianyuan Liu,† Ki Chul Kim,† Reza Kavian, Seung Soon Jang,* and Seung Woo Lee,* High-Density Lithium-Ion Energy Storage Utilizing the Surface Redox Reactions in Folded Graphene Films, Chemistry of Materials, 27 (2015), 3291-3298. (I.F. 10.508)
18. Ki Chul Kim, Peyman Moghadam, David Fairen-Jimenez, and Randall Q. Snurr,* Computational screening of metal catecholates for ammonia capture in metal-organic frameworks, Industrial & Engineering Chemistry Research, 54 (2015), 3257-3267. (I.F. 4.326)
17. Samuel Snow,† Ki Chul Kim,† Kyle Moor, Seung Soon Jang,* and Jae-Hong Kim,* Functionalized fullerenes in water: a closer look, Environmental Science & Technology, 49 (2015), 2147-2155. (I.F. 11.357)
YEAR 2014
16. Ki Chul Kim, Chang Yeon Lee, David Fairen-Jimenez, SonBinh T. Nguyen, Joseph T. Hupp, and Randall Q. Snurr,* Computational study of propylene and propane binding in metal-organic frameworks containing highly exposed Cu+ or Ag+ cations, The Journal of Physical Chemistry C, 118 (2014), 9086-9092. (I.F. 4.177)
15. Pritha Ghosh, Ki Chul Kim, and Randall Q. Snurr,* Modeling water and ammonia adsorption in hydrophobic metal-organic frameworks: Single components and mixtures, The Journal of Physical Chemistry C, 118 (2014), 1102-1110. (I.F. 4.177)
YEAR 2013
14. Ki Chul Kim, Decai Yu, and Randall Q. Snurr,* Computational screening of functional groups for ammonia capture in metal-organic frameworks, Langmuir, 29 (2013), 1446-1456. (I.F. 4.331)
13. Ki Chul Kim,* Crystal structures and thermodynamic investigations of NaSc(BH4)4 from first-principles calculations, International Journal of Quantum Chemistry, 113 (2013), 119-124. (I.F. 2.437)
YEAR 2012
12. Christopher E. Wilmer, Ki Chul Kim, and Randall Q. Snurr,* An extended charge equilibration method, The Journal of Physical Chemistry Letters, 3 (2012), 2506-2511. (I.F. 6.888)
11. Ki Chul Kim,* Validation of the reaction thermodynamics associated with NaSc(BH4)4 from first-principles calculations: Detecting metastable paths and identifying the minimum free energy path, The Journal of Chemical Physics, 137 (2012), 084111. (I.F. 4.304)
10. Youn-Sang Bae,† Chang Yeon Lee,† Ki Chul Kim,† Omar K. Farha, Peter Nickias, Joseph T. Hupp,* SonBinh T. Nguyen,* and Randall Q. Snurr,* High propene/propane selectivity in isostructural metal-organic frameworks with high densities of open metal sites, Angewandte Chemie-International Edition, 51 (2012), 1857-1860. (I.F. 16.823)
9. Ki Chul Kim, Sung Gu Kang, and David S. Sholl,* Predictions of sulfur resistance in metal membranes for H2 purification using first-principles calculations, Industrial & Engineering Chemistry Research, 51 (2012), 301-309. (I.F. 4.326)
YEAR 2011
8. Ki Chul Kim, Anant D. Kulkarni, J. Karl Johnson, and David S. Sholl,* Examining the robustness of first-principles calculations for metal hydride reaction thermodynamics by detection of metastable reaction pathways, Physical Chemistry Chemical Physics, 13 (2011), 21520-21529. (I.F. 3.945)
7. Hans Hagemann,* Vincenza D'Anna, Jean-Philippe Rapin, Radovan Cerny, Yaroslav Filinchuk, Ki Chul Kim, David S. Sholl, and Stewart F. Parker, New fundamental experimental studies on alpha-Mg(BH4)2 and other borohydrides, Journal of Alloys and Compounds, 509 (2011), S688-S690. (I.F. 6.371)
6. Ki Chul Kim, Anant D. Kulkarni, J. Karl Johnson, and David S. Sholl,* Large-scale screening of metal hydrides for hydrogen storage from first-principles calculations based on equilibrium reaction thermodynamics, Physical Chemistry Chemical Physics, 13 (2011), 7218-7229. (I.F. 3.945)
YEAR 2010
5. Radovan Cerny,* Ki Chul Kim, Nicolas Penin, Vincenza D'Anna, Hans Hagemann, and David S. Sholl,* AZn2(BH4)5 (A = Li, Na) and NaZn(BH4)3: Structural studies, The Journal of Physical Chemistry C, 114 (2010), 19127-19133. (I.F. 4.177)
4. Ki Chul Kim, Mark D. Allendorf,* Vitalie Stavila, and David S. Sholl,* Predicting impurity gases and phases during hydrogen evolution from complex metal hydrides using free energy minimization enabled by first-principles calculations, Physical Chemistry Chemical Physics, 12 (2010), 9918-9926. (I.F. 3.945)
3. Ki Chul Kim and David S. Sholl,* Crystal structures and thermodynamic investigations of LiK(BH4)2, KBH4, and NaBH4 from first-principles calculations, The Journal of Physical Chemistry C, 114 (2010), 678-686. (I.F. 4.177)
YEAR 2009
2. Ki Chul Kim, Bing Dai, J. Karl Johnson, and David S. Sholl,* Assessing nanoparticle size effects on metal hydride thermodynamics using the Wulff construction, Nanotechnology, 20 (2009), 204001. (I.F. 3.953)
YEAR 2008
1. Ki Chul Kim, Jong Hyeok Park, and O Ok Park,* New approach for nanoscale morphology of polymer solar cells, Solar Energy Materials and Solar Cells, 92 (2008), 1188-1191. (I.F. 7.305)