„Principles“
Suchergebnisse
10.000+ Treffer
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Inside Cover: Ion–Solvent Complexes Promote Gas Evolution from Electrolytes on a Sodium Metal Anode (Angew. Chem. Int. Ed. 3/2018)
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Optical Characteristics and Operational Principles of Hybrid Perovskite Solar Cells (Phys. Status Solidi A 12∕2018)
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Structural and Electronic Properties of Metal/Oxide Nanostructures from First‐Principles: Ru 13 Supported on (TiO 2) 84 as a Case Study (Adv. Theory Simul. 10/2023)
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First‐principles Assessment of the Role of Water in the Reduction Half Cycle of Low‐Temperature NH 3 ‐SCR over Cu‐CHA
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Photoexcitation in Solids: First‐Principles Quantum Simulations by Real‐Time TDDFT (Adv. Theory Simul. 8/2018)
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Two Novel Deep‐Ultraviolet Nonlinear Optical Crystals with Shorter Phase‐Matching Second Harmonic Generation than KBe 2 BO 3 F 2: A First‐Principles Prediction (Phys. Status Solidi RRL 9/2018)
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Thermoelectric Materials: Accelerated Screening of Thermoelectric Materials by First‐Principles Computations of Electron–Phonon Scattering (Adv. Energy Mater. 20/2018)
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Perovskite Solar Cells: Mixed Valence Perovskite Cs 2 Au 2 I 6: A Potential Material for Thin‐Film Pb‐Free Photovoltaic Cells with Ultrahigh Efficiency (Adv. Mater. 12/2018)
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Metal‐Semiconductor Contacts: Metallic Contact between MoS 2 and Ni via Au Nanoglue (Small 22/2018)
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Silk Materials: Hierarchical Structure of Silk Materials Versus Mechanical Performance and Mesoscopic Engineering Principles (Small 51/2019)
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Cover Picture: Cluster Disorder and Ordering Principles in Al‐Stabilized “LaI” (Angew. Chem. Int. Ed. 25/2005)
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Cover Picture: Catalytic Hydrogenation of Unsaturated Aldehydes on Pt (111): Understanding the Selectivity from First‐Principles Calculations (Angew. Chem. Int. Ed. 33/2005)
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Cover Feature: Lone‐Pair Enhanced Birefringence in an Alkaline‐Earth Metal Tin (II) Phosphate BaSn 2 (PO 4) 2 (Chem. Eur. J. 22/2019)
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Graphene Electrodes: Quantitative Principles for Precise Engineering of Sensitivity in Graphene Electrochemical Sensors (Adv. Mater. 6/2019)
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Design Principles of Silicon Heterojunction Solar Cells with Dopant‐Free Interdigitated Back Contacts
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Quantum Dots: Single Halide Perovskite/Semiconductor Core/Shell Quantum Dots with Ultrastability and Nonblinking Properties (Adv. Sci. 18/2019)
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Cover Picture: Transport Processes at α‐Quartz–Water Interfaces: Insights from First‐Principles Molecular Dynamics Simulations (ChemPhysChem 7/2008)
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Rieske Oxygenases and Other Ferredoxin‐Dependent Enzymes: Electron Transfer Principles and Catalytic Capabilities
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Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non‐Covalent Interactions in a Uranyl Tetrahalide Model System
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Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non‐Covalent Interactions in a Uranyl Tetrahalide Model System