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ALLCalculationsDensity functional theoryDynamics Energy gapExcited states Free energy Kinetic theoryKinetics Molecular dynamicsVan der Waals forces
Review Article | Open Access
Emerging plant wearable sensors: Materials, manufacturing, multiscale modeling, and applications
Published: 30 April 2026
2026, 19(6): 94908482
Research Article | Open Access
A sodium-templated structure search reveals a topological semimetal silicon anode for sodium-ion batteries
Published: 18 March 2026
2026, 19(5): 94908585
Research Article | Open Access
A theoretical and experimental study on CO2 reduction selectivity of Mo2CTx MXene catalysts: Influence of surface termination
Published: 27 January 2026
2026, 19(2): 94907992
Research Article | Open Access
Trichromatic fluorescent diatomite-based carbon dot composites for dual-mode high-resolution imaging of latent fingerprints
Published: 03 November 2025
2025, 18(12): 94907717
Research Article | Open Access
Angle-resolved polarized Raman spectroscopy study of phosphorene nanoribbons
Published: 24 June 2025
2025, 18(8): 94907547
Research Article | Open Access
Highly selective synthesis of Kagome–honeycomb assembled lattice composed of N-doped macrocycles on surfaces
Published: 20 June 2025
2025, 18(6): 94907458
Review Article | Open Access
XAFS-based identification of the microscopic chemical environment in single-atom catalysts: Progress, challenges and prospects
Published: 06 June 2025
2025, 18(6): 94907509
Research Article | Open Access
Roles of coordination combinations in the performance and application of Pd1/C3N single-atom catalysts: A design for multifunctional catalysts from first-principles
Published: 22 May 2025
2025, 18(6): 94907491
Research Article | Open Access
Machine learning driven high-throughput screening of S and N-coordinated SACs for eNRR
Published: 20 March 2025
2025, 18(4): 94907289
Research Article | Open Access
TiO2-supported Ni4 quadruple-atom catalyst: A promising few-atom catalyst with high atomic utilization
Published: 17 March 2025
2025, 18(4): 94907293
Total 111