Jang SS - Search Results

1

Application of DFT-based machine learning for developing molecular electrode materials in Li-ion batteries.

Allam O, Cho BW, Kim KC, Jang SS. Allam O, et al. Among authors: jang ss. RSC Adv. 2018 Nov 26;8(69):39414-39420. doi: 10.1039/c8ra07112h. eCollection 2018 Nov 23. RSC Adv. 2018. PMID: 35558035 Free PMC article.

2

Functionalized fullerenes in water: a closer look.

Snow SD, Kim KC, Moor KJ, Jang SS, Kim JH. Snow SD, et al. Among authors: jang ss. Environ Sci Technol. 2015 Feb 17;49(4):2147-55. doi: 10.1021/es504735h. Epub 2015 Jan 29. Environ Sci Technol. 2015. PMID: 25632831

3

First-Principles Density Functional Theory Modeling of Li Binding: Thermodynamics and Redox Properties of Quinone Derivatives for Lithium-Ion Batteries.

Kim KC, Liu T, Lee SW, Jang SS. Kim KC, et al. Among authors: jang ss. J Am Chem Soc. 2016 Feb 24;138(7):2374-82. doi: 10.1021/jacs.5b13279. Epub 2016 Feb 10. J Am Chem Soc. 2016. PMID: 26824616

4

Molecular Dynamics Simulations of Aldol Condensation Catalyzed by Alkylamine-Functionalized Crystalline Silica Surfaces.

Kim KC, Moschetta EG, Jones CW, Jang SS. Kim KC, et al. Among authors: jang ss. J Am Chem Soc. 2016 Jun 22;138(24):7664-72. doi: 10.1021/jacs.6b03309. Epub 2016 Jun 10. J Am Chem Soc. 2016. PMID: 27238580

5

Thermodynamic and redox properties of graphene oxides for lithium-ion battery applications: a first principles density functional theory modeling approach.

Kim S, Kim KC, Lee SW, Jang SS. Kim S, et al. Among authors: jang ss. Phys Chem Chem Phys. 2016 Jul 27;18(30):20600-6. doi: 10.1039/c6cp02692c. Phys Chem Chem Phys. 2016. PMID: 27412373

6

Systematic Molecular Design of Ketone Derivatives of Aromatic Molecules for Lithium-Ion Batteries: First-Principles DFT Modeling.

Park JH, Liu T, Kim KC, Lee SW, Jang SS. Park JH, et al. Among authors: jang ss. ChemSusChem. 2017 Apr 10;10(7):1584-1591. doi: 10.1002/cssc.201601730. Epub 2017 Feb 28. ChemSusChem. 2017. PMID: 28199064

7

Enhanced Selectivity for CO₂ Adsorption on Mesoporous Silica with Alkali Metal Halide Due to Electrostatic Field: A Molecular Simulation Approach.

Kwon S, Kwon HJ, Choi JI, Kim KC, Seo JG, Park JE, You SJ, Park ED, Jang SS, Lee HC. Kwon S, et al. Among authors: jang ss. ACS Appl Mater Interfaces. 2017 Sep 20;9(37):31683-31690. doi: 10.1021/acsami.7b04508. Epub 2017 Sep 7. ACS Appl Mater Interfaces. 2017. PMID: 28829116

8

Electrochemical Properties of Boron-Doped Fullerene Derivatives for Lithium-Ion Battery Applications.

Sood P, Kim KC, Jang SS. Sood P, et al. Among authors: jang ss. Chemphyschem. 2018 Mar 19;19(6):753-758. doi: 10.1002/cphc.201701171. Epub 2018 Feb 5. Chemphyschem. 2018. PMID: 29216411

9

Density Functional Theory - Machine Learning Approach to Analyze the Bandgap of Elemental Halide Perovskites and Ruddlesden-Popper Phases.

Allam O, Holmes C, Greenberg Z, Kim KC, Jang SS. Allam O, et al. Among authors: jang ss. Chemphyschem. 2018 Oct 5;19(19):2559-2565. doi: 10.1002/cphc.201800382. Epub 2018 Jul 5. Chemphyschem. 2018. PMID: 29928788

10

Spectral Instability of Layered Mixed Halide Perovskites Results from Anion Phase Redistribution and Selective Hole Injection.

Nah Y, Allam O, Kim HS, Choi JI, Kim IS, Byun J, Kim SO, Jang SS, Kim DH. Nah Y, et al. Among authors: jang ss. ACS Nano. 2021 Jan 26;15(1):1486-1496. doi: 10.1021/acsnano.0c08897. Epub 2020 Dec 31. ACS Nano. 2021. PMID: 33382600

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