Issue
Total 17 articles [ 키워드: DFT ]
No. Article
11 Korean Journal of Chemical Engineering, 36 (4), pp.551-562 (2019)
Activated carbon synthesized from biomass material using single-step KOH activation for adsorption of fluoride: Experimental and theoretical investigation
Bhomick PC, Supong A, Karmaker R, et al.
12 Korean Journal of Chemical Engineering, 35 (9), pp.1889-1910 (2018)
Fabrication of composite membranes for pervaporation of tetrahydrofuran-water: Optimization of intrinsic property by response surface methodology and studies on vulcanization mechanism by density functional theory
Mahapatra M, Karmakar M, Dutta A, et al.
13 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.
14 Korean Journal of Chemical Engineering, 34 (6), pp.1874-1881 (2017)
Poisoning effect of CaO on CeO2/TiO2 catalysts for selective catalytic reduction of NO with NH3
Jiang Y, Wang X, Bao C, et al.
15 Korean Journal of Chemical Engineering, 34 (2), pp.500-510 (2017)
Formation of intermediate band and low recombination rate in ZnO-BiVO4 heterostructured photocatalyst: Investigation based on experimental and theoretical studies
Singh S, Sharma R, Joshi G, et al.
16 Korean Journal of Chemical Engineering, 32 (7), pp.1427-1433 (2015)
Synthesis and properties of amino acid functionalized water-soluble perylene diimides
Ma Y, Li X, Wei X, et al.
17 Korean Journal of Chemical Engineering, 18 (6), pp.862-866 (2001)
New Aspects of Heterogeneous Photocatalysts for Water Decomposition
Domen K, Hara M, Kondo JN, et al.
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