| Issue |
| Total 14 articles [ 키워드: Density Functional Theory ] |
| No. | Article |
| 1 |
Korean Journal of Chemical Engineering, 39 (11), pp.2883-2895 (2022) A review of formic acid decomposition routes on transition metals for its potential use as a liquid H2 carrier Schlussel S, Kwon S |
| 2 |
Korean Journal of Chemical Engineering, 39 (6), pp.1641-1650 (2022) ZnS-modified carbon nitride nanosheet with enhanced performance of elemental Hg removal: An experimental and density functional theory study Ling Y, Wu J, Yang L, et al. |
| 3 |
Korean Journal of Chemical Engineering, 37 (8), pp.1295-1305 (2020) Computational approaches to the exsolution phenomenon in perovskite oxides with a view to design highly durable and active anodes for solid oxide fuel cells Kim KH, Lim CS, Han JW |
| 4 |
Korean Journal of Chemical Engineering, 37 (8), pp.1411-1418 (2020) Hybrid Pd38 nanocluster/Ni(OH)2-graphene catalyst for enhanced HCOOH dehydrogenation: First principles approach Shin DY, Kim MS, Kang SH, et al. |
| 5 |
Korean Journal of Chemical Engineering, 36 (8), pp.1258-1266 (2019) Density functional theory study of NOx adsorption on alkaline earth metal oxide and transition metal surfaces Lim JY, Kim KH, Kim EY, et al. |
| 6 |
Korean Journal of Chemical Engineering, 35 (7), pp.1547-1555 (2018) Electrodeposition-fabricated PtCu-alloy cathode catalysts for high-temperature proton exchange membrane fuel cells Park HJ, Kim KM, Kim HY, et al. |
| 7 |
Korean Journal of Chemical Engineering, 34 (7), pp.2065-2071 (2017) Mechanism of Ce promoting SO2 resistance of MnOx/γ-Al2O3: An experimental and DFT study Zhang X, Li Z, Zhao J, et al. |
| 8 |
Korean Journal of Chemical Engineering, 33 (10), pp.2869-2877 (2016) Density functional theory study on Hg removal mechanisms of Cu-impregnated activated carbon prepared by simplified method Fan Y, Zhuo Y, Zhu Z, et al. |
| 9 |
Korean Journal of Chemical Engineering, 32 (11), pp.2330-2334 (2015) Simple boron removal from seawater by using polyols as complexing agents: A computational mechanistic study Kim MK, Eom KH, Lim JH, et al. |
| 10 |
Korean Journal of Chemical Engineering, 32 (5), pp.993-1000 (2015) Thiazole derivatives as efficient corrosion inhibitor for oil-well tubular steel in hydrochloric acid solution Yadav M, Sharma D, Kumar S |
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