Scientific Publications
Journal Article (8213)
1.
Journal Article
221 (1), 2300180 (2024)
A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers. Physica Status Solidi A 2.
Journal Article
16 (9), pp. 11552 - 11560 (2024)
Revealing the Intrinsic Restructuring of Bi2O3 Nanoparticles into Bi Nanosheets during Electrochemical CO2 Reduction. ACS Applied Materials and Interfaces 3.
Journal Article
745, 122471 (2024)
X-ray photoelectron spectroscopy as a useful tool to study surfaces and model systems for heterogeneous catalysts: A review and perspective. Surface Science 4.
Journal Article
146 (14), pp. 9665 - 9678 (2024)
Electrocatalytic Nitrate and Nitrite Reduction toward Ammonia using Cu2O Nanocubes: Active Species and Reaction Mechanisms. Journal of the American Chemical Society 5.
Journal Article
12 (13), pp. 7605 - 7621 (2024)
Uncovering the critical function of lanthanum in CH4 production from CO2 using exsolved LaNiO3 perovskite catalysts. Journal of Materials Chemistry A 6.
Journal Article
495, 153080 (2024)
Core-Shell catalyst particles for tandem catalysis: An experimental/numerical approach towards optimal design. Chemical Engineering Journal 7.
Journal Article
Roadmap on Data-Centric Materials Science. Modelling and Simulation in Materials Science and Engineering (2024)
8.
Journal Article
10 (26), eadk3897 (2024)
Berry curvature signatures in chiroptical excitonic transitions. Science Advances 9.
Journal Article
15, 2611 (2024)
Ion mobility-tandem mass spectrometry of mucin-type O-glycans. Nature Communications 10.
Journal Article
160 (3), 034106 (2024)
Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework. The Journal of Chemical Physics 11.
Journal Article
15, 4594 (2024)
X-ray radiation damage cycle of solvated inorganic ions. Nature Communications 12.
Journal Article
18 (21), pp. 13714 - 13725 (2024)
Correlative In Situ Spectro-Microscopy of Supported Single CuO Nanoparticles: Unveiling the Relationships between Morphology and Chemical State during Thermal Reduction. ACS Nano 13.
Journal Article
14 (3), pp. 572 - 580 (2024)
Thermal synthesis of electron deficient oxygen species on crystalline IrO2. Catalysis Science & Technology 14.
Journal Article
15, 871 (2024)
Highly loaded bimetallic iron-cobalt catalysts for hydrogen release from ammonia. Nature Communications 15.
Journal Article
20 (12), pp. 5276 - 5290 (2024)
Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table. Journal of Chemical Theory and Computation 16.
Journal Article
146 (20), pp. 13770 - 13782 (2024)
Facet Dependence of the Oxygen Evolution Reaction on Co3O4, CoFe2O4, and Fe3O4 epitaxial film electrocatalysts. Journal of the American Chemical Society 17.
Journal Article
7 (6), pp. 2392 - 2404 (2024)
Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11. ACS Applied Energy Materials 18.
Journal Article
63 (7), e202318043 (2024)
Ultrathin Two-dimensional Layered Composite Carbosilicates from in situ Unzipped Carbon Nanotubes and Exfoliated Bulk Silica. Angewandte Chemie International Edition 19.
Journal Article
14, pp. 9993 - 10008 (2024)
Cobalt(II) Nanoclusters Incorporated in Ordered Mesoporous Al2O3 for Stable and Coke-Resistant Propane Dehydrogenation. ACS Catalysis 20.
Journal Article
2024 (1), pp. 37 - 40 (2024)
Controlling the Internal States of Chiral Molecules. Bunsen-Magazin