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Hybrid functional
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Keyword
keyword
Hybrid functional
RIS
0.004
(Research Intensity Score)
Papers
455
Top papers
Photochromic Carbon Nanomaterials: An Emerging Class of Light‐Driven Hybrid Functional Materials
2024 · 55 citations
Gas Sensors Based on Chemi-Resistive Hybrid Functional Nanomaterials
2020 · 433 citations
Electronic and optical properties of vacancy ordered double perovskites A2BX6 (A = Rb, Cs; B = Sn, Pd, Pt; and X = Cl, Br, I): a first principles study
2021 · 224 citations
Structural, electronic, optical and mechanical properties of oxide-based perovskite ABO3 (A = Cu, Nd and B = Sn, Sc): A DFT study
2022 · 101 citations
Accelerating the Discovery of g-C 3 N 4 -Supported Single Atom Catalysts for Hydrogen Evolution Reaction: A Combined DFT and Machine Learning Strategy
2023 · 76 citations
Newest papers
Broccoli-Derived Carbon Dots Composited with Aliphatic Linker-Based COFs as Hybrid Functional Modifiers for an Advanced Silica Stationary Phase
2026 · 4 citations
Halide-driven tuning of structural, electronic, and optical properties in lead-free K2AgSbX6 (X = I, Br, Cl) double perovskites: a DFT study
2026 · 4 citations
Sulfur substitution in BaZrO3 perovskite: A first-principles study of bandgap tuning for photovoltaic applications
2026 · 4 citations
Comprehensive DFT study of the optoelectronic and thermomechanical properties of orthorhombic RbBaPO4 for device applications
2026 · 3 citations
Gold-Standard Chemical Database 137 (GSCDB137): A Diverse Set of Accurate Energy Differences for Assessing and Developing Density Functionals
2025 · 21 citations
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