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Strain Engineering of Electronic, Optical and Photocatalytic Properties of MX<sub>2</sub> (M=Mo, W and X=S, Se) Monolayers.
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- Indian Journal of Pure & Applied Physics, 2024, v. 62, n. 11, p. 1022, doi. 10.56042/ijpap.v62i11.12747
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- Article
自旋-轨道耦合对双层钙钛矿 Ba<sub>2</sub>CoOsO<sub>6</sub> 电磁性质的影响.
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- Journal of Jiangsu University (Natural Science Edition) / Jiangsu Daxue Xuebao (Ziran Kexue Ban), 2024, v. 45, n. 6, p. 739, doi. 10.3969/j.issn.1671-7775.2024.06.016
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Ni<sub>x</sub>B/Mo<sub>0.8</sub>B<sub>3</sub> Nanorods Encapsulated by a Boron‐Rich Amorphous Layer for Universal pH Water Splitting at the Ampere Level.
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- Advanced Energy Materials, 2024, v. 14, n. 45, p. 1, doi. 10.1002/aenm.202402866
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- Article
Nonlinear and Optical Limiting Properties of Graphene–Ferrite Nanocomposites: A Review.
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- Physica Status Solidi - Rapid Research Letters, 2024, v. 18, n. 12, p. 1, doi. 10.1002/pssr.202400105
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Conjugated Coordination Nanosheets with Molecular Rotors for Pseudocapacitors: Nanoarchitectonics and Enhanced Performance.
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- Chemistry - A European Journal, 2024, v. 30, n. 67, p. 1, doi. 10.1002/chem.202402852
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Improved Energy Transfer in the Sensitization of Americium Enables Observation of Circularly Polarized Luminescence.
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- Angewandte Chemie, 2024, v. 136, n. 50, p. 1, doi. 10.1002/ange.202412535
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- Article
Hydrogen Evolution Reactivity of Pentagonal Carbon Rings and p‐d Orbital Hybridization Effect with Ru.
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- Angewandte Chemie, 2024, v. 136, n. 50, p. 1, doi. 10.1002/ange.202411125
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Insight into structures and electronic states of connected (n/n−1, 0) carbon nanotubes: Implications from a SCC-DFTB algorithm.
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- Journal of Materials Science, 2024, v. 59, n. 46, p. 21333, doi. 10.1007/s10853-024-10451-8
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Design and Exploring the Structure and Electronic Characteristics ofPS/MnO<sub>2</sub>/NiO Nanosystem for Optics and Electronics Nanodevices.
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- Nanosistemi, Nanomateriali, Nanotehnologii, 2024, v. 22, n. 3, p. 713, doi. 10.15407/nnn.22.03.713
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- Article
A Dinitrogen Divanadium Complex Supported by a Trisamidophosphine Ligand.
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- Chinese Journal of Chemistry, 2025, v. 43, n. 1, p. 39, doi. 10.1002/cjoc.202400693
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Understanding the Interface Characteristics Between TiB 2 (0001) and L1 2 -Al 3 Zr(001): A First-Principles Investigation.
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- Crystals (2073-4352), 2024, v. 14, n. 11, p. 979, doi. 10.3390/cryst14110979
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β-Yb 2 CdSb 2 —A Complex Non-Centrosymmetric Zintl Polymorph.
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- Crystals (2073-4352), 2024, v. 14, n. 11, p. 920, doi. 10.3390/cryst14110920
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Optimized Design of Quinary High-Entropy Transition Metal Carbide Ceramics Based on First Principles.
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- Coatings (2079-6412), 2024, v. 14, n. 11, p. 1387, doi. 10.3390/coatings14111387
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Electronic structure and optical properties of alkali metal X (X=Li, Na, K, Rb, Cs) adsorbed in the Te vacancy-deficient molybdenum ditelluride system: A first-principles study.
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- Modern Physics Letters B, 2024, v. 38, n. 35, p. 1, doi. 10.1142/S0217984924502713
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The role of graphene in SnS<sub>2</sub>@Graphene for rechargeable lithium batteries: A view from the electronic structure.
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- Modern Physics Letters B, 2024, v. 38, n. 34, p. 1, doi. 10.1142/S0217984924503391
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Computational investigation of the fundamental physical properties of lead-free halide double perovskite Rb<sub>2</sub>NaCoX<sub>6</sub> (X = Cl, Br, and I) materials: Potential prospects for sustainable energy.
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- Modern Physics Letters B, 2024, v. 38, n. 34, p. 1, doi. 10.1142/S0217984924503238
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Identification of ruthenium chloride complexes in the coordination precursor Ruthenium Blue and its oxidation products.
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- Canadian Journal of Chemistry, 2024, v. 102, n. 12, p. 823, doi. 10.1139/cjc-2024-0043
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Synthesis of New 1,4-Naphthoquinone Fluorosulfate Derivatives and the Study of Their Biological and Electrochemical Properties.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 22, p. 12245, doi. 10.3390/ijms252212245
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- Article
Encapsulating Proton Inside C 60 Fullerene: A Density Functional Theory Study on the Electronic Properties of Cationic X + @C 60 (X + = H + , H 3 O + and NH 4 +).
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- International Journal of Molecular Sciences, 2024, v. 25, n. 22, p. 12014, doi. 10.3390/ijms252212014
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Spectroscopic Detection and Theoretical Description of Spin‐Crossover Effect in Co(II)‐terpyridine System.
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- European Journal of Inorganic Chemistry, 2024, v. 27, n. 33, p. 1, doi. 10.1002/ejic.202400353
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Cluster morphology of silicon nanoparticles.
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- Semiconductor Physics, Quantum Electronics & Optoelectronics, 2007, v. 10, n. 4, p. 81
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Optical investigation of the electronic structure of alloys ?u-F?
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- Semiconductor Physics, Quantum Electronics & Optoelectronics, 2007, v. 10, n. 3, p. 58, doi. 10.15407/spqeo10.03.058
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Spin-dependent transport in magnetic sandwiches in the effective-mass approximation.
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- Semiconductor Physics, Quantum Electronics & Optoelectronics, 2006, v. 9, n. 3, p. 70, doi. 10.15407/spqeo9.03.070
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- Article
A novel synthesis of iron-oxy-halides (FOX)-based metallic microsponges (FOX-MS): an efficient photodegradation of antibiotics.
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- Clean Technologies & Environmental Policy, 2024, v. 26, n. 8, p. 2535, doi. 10.1007/s10098-024-02748-8
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- Article
Effects of substitution of X (X=rhenium, chromium and zirconium) on the properties of Co<sub>7</sub>Mo<sub>6</sub> μ phase: A first-principles study.
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- Materialwissenschaft und Werkstoffechnik, 2017, v. 48, n. 6, p. 570, doi. 10.1002/mawe.201600726
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Reduction of molecular oxygen on the surface of transition metal complex oxide.
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- Materialwissenschaft und Werkstoffechnik, 2016, v. 47, n. 2/3, p. 112, doi. 10.1002/mawe.201600478
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Study of photocatalytic properties of pure and doped ZnO powders.
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- Materialwissenschaft und Werkstoffechnik, 2016, v. 47, n. 1, p. 19, doi. 10.1002/mawe.201500339
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Influence of impurity defects on vibrational and electronic structure of graphene.
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- Materialwissenschaft und Werkstoffechnik, 2013, v. 44, n. 2/3, p. 183, doi. 10.1002/mawe.201300086
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- Article
Stabilization of the Elusive 9‐Carbene‐9‐Borafluorene Monoanion.
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- Angewandte Chemie, 2021, v. 133, n. 23, p. 13175, doi. 10.1002/ange.202103628
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Atomically Precise Engineering of Single‐Molecule Stereoelectronic Effect.
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- Angewandte Chemie, 2021, v. 133, n. 22, p. 12382, doi. 10.1002/ange.202100168
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- Article
Defect‐Rich Porous Palladium Metallene for Enhanced Alkaline Oxygen Reduction Electrocatalysis.
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- Angewandte Chemie, 2021, v. 133, n. 21, p. 12134, doi. 10.1002/ange.202101019
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When Fluxionality Beats Size Selection: Acceleration of Ostwald Ripening of Sub‐Nano Clusters.
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- Angewandte Chemie, 2021, v. 133, n. 21, p. 12080, doi. 10.1002/ange.202100107
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- Article
Potential‐Induced Spin Changes in Fe/N/C Electrocatalysts Assessed by In Situ X‐ray Emission Spectroscopy.
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- Angewandte Chemie, 2021, v. 133, n. 21, p. 11813, doi. 10.1002/ange.202016951
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Dicyclopentaannelated Hexa‐peri‐hexabenzocoronenes with a Singlet Biradical Ground State.
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- Angewandte Chemie, 2021, v. 133, n. 20, p. 11400, doi. 10.1002/ange.202102932
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Cobalt Diazo‐Compounds: From Nitrilimide to Isocyanoamide via a Diazomethanediide Fleeting Intermediate.
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- Angewandte Chemie, 2021, v. 133, n. 20, p. 11238, doi. 10.1002/ange.202016539
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Characterization of a Molecule Partially Confined at the Pore Mouth of a Zeotype.
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- Angewandte Chemie, 2021, v. 133, n. 18, p. 10327, doi. 10.1002/ange.202100166
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- Article
Tailoring Electronic Structure and Size of Ultrastable Metalated Metal–Organic Frameworks with Enhanced Electroconductivity for High‐Performance Supercapacitors.
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- Angewandte Chemie, 2021, v. 133, n. 18, p. 10316, doi. 10.1002/ange.202100123
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- Article
Ag<sub>44</sub>(EBT)<sub>26</sub>(TPP)<sub>4</sub> Nanoclusters With Tailored Molecular and Electronic Structure.
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- Angewandte Chemie, 2021, v. 133, n. 16, p. 9120, doi. 10.1002/ange.202015907
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Inversely Tuning the CO<sub>2</sub> Electroreduction and Hydrogen Evolution Activity on Metal Oxide via Heteroatom Doping.
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- Angewandte Chemie, 2021, v. 133, n. 14, p. 7680, doi. 10.1002/ange.202016022
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Tunable e<sub>g</sub> Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction*.
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- Angewandte Chemie, 2021, v. 133, n. 11, p. 5864, doi. 10.1002/ange.202013610
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To Every Rule There is an Exception: A Rational Extension of Loewenstein's Rule.
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- Angewandte Chemie, 2021, v. 133, n. 10, p. 5192, doi. 10.1002/ange.202013256
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Observing Single‐Atom Catalytic Sites During Reactions with Electrospray Ionization Mass Spectrometry.
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- Angewandte Chemie, 2021, v. 133, n. 9, p. 4814, doi. 10.1002/ange.202011632
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- Article
Insights into the Capacity and Rate Performance of Transition‐Metal Coordination Compounds for Reversible Lithium Storage.
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- Angewandte Chemie, 2021, v. 133, n. 8, p. 4188, doi. 10.1002/ange.202013912
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Dynamic Activation of Adsorbed Intermediates via Axial Traction for the Promoted Electrochemical CO<sub>2</sub> Reduction.
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- Angewandte Chemie, 2021, v. 133, n. 8, p. 4238, doi. 10.1002/ange.202013427
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Hydrazine Formation via Coupling of a Nickel(III)–NH<sub>2</sub> Radical.
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- Angewandte Chemie, 2021, v. 133, n. 8, p. 4055, doi. 10.1002/ange.202013119
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autodE: Automated Calculation of Reaction Energy Profiles— Application to Organic and Organometallic Reactions.
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- Angewandte Chemie, 2021, v. 133, n. 8, p. 4312, doi. 10.1002/ange.202011941
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- Article
Surface Coordination of Multiple Ligands Endows N‐Heterocyclic Carbene‐Stabilized Gold Nanoclusters with High Robustness and Surface Reactivity.
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- Angewandte Chemie, 2021, v. 133, n. 7, p. 3796, doi. 10.1002/ange.202013718
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Stereospecific Ring‐Opening Metathesis Polymerization of Norbornene Catalyzed by Iron Complexes.
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- Angewandte Chemie, 2021, v. 133, n. 6, p. 2970, doi. 10.1002/ange.202011150
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- Article
Synthesis of a Sidewall Fragment of a (12,0) Carbon Nanotube.
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- Angewandte Chemie, 2021, v. 133, n. 5, p. 2690, doi. 10.1002/ange.202012651
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- Article
A BN‐Doped Cycloparaphenylene Debuts.
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- Angewandte Chemie, 2021, v. 133, n. 3, p. 1580, doi. 10.1002/ange.202010556
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- Article