Articles published on Density Functional Theory
Authors
Select Authors
Journals
Select Journals
Duration
Select Duration
227194 Search results
Sort by Recency
- New
- Research Article
- 10.1016/j.jcis.2026.139862
- Apr 15, 2026
- Journal of colloid and interface science
- Mingkun Wu + 5 more
Unveiling the plasmonic electron origin: dual vacancies synergy in an S-scheme Cu7S4@ZnIn2S4 heterojunction boosting hot electron flow for photothermal H2 evolution.
- New
- Research Article
- 10.1016/j.watres.2026.125499
- Apr 15, 2026
- Water research
- Fulin Shao + 5 more
Screening toxic transformation products of emerging pollutants in advanced oxidation processes with 3D deep learning and in vitro assays.
- New
- Research Article
- 10.1016/j.jcis.2026.139877
- Apr 15, 2026
- Journal of colloid and interface science
- Xiaodong Sun + 7 more
Regulating lateral Na ions deposition via ag nanoparticles-modified carbon cloth toward dendrite-free Na metal anodes.
- New
- Research Article
- 10.1016/j.jcis.2025.139777
- Apr 1, 2026
- Journal of colloid and interface science
- Xiang Cheng + 5 more
Self-reduced CuₓO multichannels at TiO2/porphyrin metal-organic frameworks interface for enhanced photocatalytic hydrogen evolution.
- New
- Research Article
- 10.1016/j.jcis.2025.139713
- Apr 1, 2026
- Journal of colloid and interface science
- Panesun Tukur + 8 more
Dynamic active site reconstruction dictates the oxygen evolution reaction performance of cobalt-based electrocatalysts.
- New
- Research Article
- 10.1016/j.jinorgbio.2025.113208
- Apr 1, 2026
- Journal of inorganic biochemistry
- Tina P Andrejević + 11 more
Multimodal anticancer potential of newly synthesized palladium(II), platinum(II), and gold(III) complexes with 2-(Thiazol-2-yl)pyridine-4,5-dicarboxylate dimethyl ester.
- New
- Research Article
- 10.1016/j.jcis.2025.139644
- Apr 1, 2026
- Journal of colloid and interface science
- Cuilan Tang + 3 more
3D honeycomb-like PdAg Nanoframework with optimized geometric and Interface electronic structure enable efficient ethanol oxidation via dual-pathway mechanism.
- New
- Research Article
- 10.1016/j.envres.2026.123974
- Apr 1, 2026
- Environmental research
- Yunfei Wang + 5 more
Application of novel magnetic biochar: Material performance and mechanisms for efficient persulfate activation in sulfamethoxazole degradation.
- New
- Research Article
- 10.1016/j.jcis.2025.139679
- Apr 1, 2026
- Journal of colloid and interface science
- Jing Xu + 8 more
Heteroatom substitution boosts Electrocatalytic Ammonia synthesis in porous coordination network.
- New
- Research Article
- 10.1016/j.jcis.2026.139827
- Apr 1, 2026
- Journal of colloid and interface science
- Ziwei Zhang + 5 more
MXene/Fe2O3 composite synthesized by electrostatic adsorption method as a high-performance anode material for Li-ion batteries.
- New
- Research Article
- 10.1016/j.talanta.2025.129143
- Apr 1, 2026
- Talanta
- Chang Liu + 8 more
Core-shell structured nickel@polydopamine magnetic composite nanotubes for chelator-free protein removal: Self-released Ni2+-mediated selective adsorption of histidine-rich proteins.
- New
- Research Article
- 10.1016/j.vetpar.2026.110725
- Apr 1, 2026
- Veterinary parasitology
- Famim Ahmed + 6 more
Chemico-pharmacological and computational evaluation of Artocarpus chaplasha; Comparative anthelmintic and cytotoxic potential between bark and seed.
- New
- Research Article
- 10.1016/j.watres.2026.125549
- Apr 1, 2026
- Water research
- Shiyan Sun + 5 more
Asymmetric Fe-N3C coordination in Fe single-atom sites boosts electrochemical activation of H2O2 for efficient •OH generation.
- New
- Research Article
1
- 10.1016/j.compbiolchem.2025.108821
- Apr 1, 2026
- Computational biology and chemistry
- Perwez Alam + 3 more
Mechanistic insights into marine-derived PDE6D inhibitors disrupting prenyl-binding to modulate leukemia-associated RAS trafficking.
- New
- Research Article
- 10.1016/j.saa.2026.127500
- Apr 1, 2026
- Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
- Feng-Ting Liu + 4 more
A novel amide-quinoline salt-based mitochondrial-targeted fluorescent probe for detecting pH in cells and water samples.
- New
- Research Article
- 10.1016/j.jcis.2025.139791
- Apr 1, 2026
- Journal of colloid and interface science
- Tianxiang Luo + 8 more
Electronic structure engineering of ultradispersed Ru in NiO nanobricks for selective and efficient ethanol electrooxidation.
- New
- Research Article
- 10.1016/j.jcis.2025.139806
- Apr 1, 2026
- Journal of colloid and interface science
- Chunhui Cheng + 7 more
Widening the ammonia selective catalytic reduction window over copper-based SSZ-39 zeolites: Synergy of copper(II) ions and copper oxide clusters.
- New
- Research Article
- 10.1016/j.neuroscience.2026.02.007
- Apr 1, 2026
- Neuroscience
- Pooja Gandharvachari Achar + 7 more
Unravelling the therapeutic potential of chrysin against ischemic stroke and post-stroke cognitive impairment: a network pharmacology and in-silico perspective.
- New
- Research Article
- 10.1016/j.saa.2025.127420
- Apr 1, 2026
- Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
- Süreyya Oğuz Tümay + 5 more
Ultra-sensitive fluorene-based fluorescent sensors for Hg2+ detection using smartphone-assisted RGB analysis in water and food matrices.
- New
- Research Article
1
- 10.1016/j.dyepig.2025.113455
- Apr 1, 2026
- Dyes and Pigments
- Ali Raza Ayub + 7 more
Supramolecular interactions between methyl derivatives of perylene diimide (PDI) and their composites doped with GMP to study the optoelectronic properties through density functional theory (DFT) calculations