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A Universal Synthesis of Single‐Atom Catalysts via Operando Bond Formation Driven by Electricity.
- Published in:
- Advanced Science, 2024, v. 11, n. 41, p. 1, doi. 10.1002/advs.202401814
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- Publication type:
- Article
Defect-Controlled Formation of Triclinic Na<sub>2</sub>CoP<sub>2</sub>O<sub>7</sub> for 4 V Sodium-Ion Batteries.
- Published in:
- Angewandte Chemie, 2016, v. 128, n. 23, p. 6774, doi. 10.1002/ange.201601022
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- Publication type:
- Article
Single atom and defect engineering of CuO for efficient electrochemical reduction of CO<sub>2</sub> to C<sub>2</sub>H<sub>4</sub>.
- Published in:
- SmartMat, 2022, v. 3, n. 1, p. 194, doi. 10.1002/smm2.1105
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- Publication type:
- Article
Defect-Controlled Formation of Triclinic Na<sub>2</sub>CoP<sub>2</sub>O<sub>7</sub> for 4 V Sodium-Ion Batteries.
- Published in:
- Angewandte Chemie International Edition, 2016, v. 55, n. 23, p. 6662, doi. 10.1002/anie.201601022
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- Publication type:
- Article
Highly Stable Nanoporous Sulfur-Bridged Covalent Organic Polymers for Carbon Dioxide Removal.
- Published in:
- Advanced Functional Materials, 2013, v. 23, n. 18, p. 2270, doi. 10.1002/adfm.201202442
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- Publication type:
- Article
Na<sub>2</sub>FeP<sub>2</sub>O<sub>7</sub> as a Promising Iron-Based Pyrophosphate Cathode for Sodium Rechargeable Batteries: A Combined Experimental and Theoretical Study.
- Published in:
- Advanced Functional Materials, 2013, v. 23, n. 9, p. 1147, doi. 10.1002/adfm.201201589
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- Publication type:
- Article
Local intermolecular interactions for selective CO capture by zeolitic imidazole frameworks: energy decomposition analysis.
- Published in:
- Journal of Nanoparticle Research, 2012, v. 14, n. 4, p. 1, doi. 10.1007/s11051-012-0793-9
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- Publication type:
- Article
Direct Imaging of Co-CUK-1 Framework with H<sub>2</sub>O Guests.
- Published in:
- 2023
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- Publication type:
- Abstract
Classifying Intermetallic Tetragonal Phase of All-d-Metal Heusler Alloys for Catalysis Applications.
- Published in:
- Topics in Catalysis, 2022, v. 65, n. 1-4, p. 208, doi. 10.1007/s11244-021-01515-z
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- Publication type:
- Article
Automated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility.
- Published in:
- Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-29705-7
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- Publication type:
- Article
Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions.
- Published in:
- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-24539-1
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- Publication type:
- Article
Intramolecular Aromatic Carbenoid Insertion of Biaryldiazoacetates for the Regioselective Synthesis of Fluorenes.
- Published in:
- Chemistry - An Asian Journal, 2011, v. 6, n. 8, p. 2040, doi. 10.1002/asia.201100142
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- Publication type:
- Article
Ultralow Overpotential of Hydrogen Evolution Reaction using Fe‐Doped Defective Graphene: A Density Functional Study.
- Published in:
- ChemCatChem, 2018, v. 10, n. 19, p. 4450, doi. 10.1002/cctc.201800635
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- Publication type:
- Article
Importance of Ligand Effects Breaking the Scaling Relation for Core-Shell Oxygen Reduction Catalysts.
- Published in:
- ChemCatChem, 2017, v. 9, n. 16, p. 3173, doi. 10.1002/cctc.201700497
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- Publication type:
- Article
Corrigendum: Assessments of Semilocal Density Functionals and Corrections for Carbon Dioxide Adsorption on Metal-Organic Frameworks.
- Published in:
- ChemPhysChem, 2015, v. 16, n. 4, p. 704, doi. 10.1002/cphc.201500022
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- Publication type:
- Article
Assessments of Semilocal Density Functionals and Corrections for Carbon Dioxide Adsorption on Metal-Organic Frameworks.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 15, p. 3157, doi. 10.1002/cphc.201402291
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- Publication type:
- Article
How Diradicaloid Is a Stable Diradical?
- Published in:
- ChemPhysChem, 2003, v. 4, n. 5, p. 522, doi. 10.1002/cphc.200200668
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- Publication type:
- Article
An ab initio study of the structure of two-, three- and five-dimersilicon clusters: An approach to the Si(100) surface.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2003, v. 109, n. 5, p. 268, doi. 10.1007/s00214-002-0420-4
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- Publication type:
- Article
Precise atom-to-atom mapping for organic reactions via human-in-the-loop machine learning.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-46364-y
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- Publication type:
- Article
Single‐Atom Cadmium‐N<sub>4</sub> Sites for Rechargeable Li–CO<sub>2</sub> Batteries with High Capacity and Ultra‐Long Lifetime (Adv. Funct. Mater. 25/2023).
- Published in:
- Advanced Functional Materials, 2023, v. 33, n. 25, p. 1, doi. 10.1002/adfm.202213841
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- Publication type:
- Article
Single‐Atom Cadmium‐N<sub>4</sub> Sites for Rechargeable Li–CO<sub>2</sub> Batteries with High Capacity and Ultra‐Long Lifetime.
- Published in:
- Advanced Functional Materials, 2023, v. 33, n. 25, p. 1, doi. 10.1002/adfm.202213841
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- Publication type:
- Article
A large-scale reaction dataset of mechanistic pathways of organic reactions.
- Published in:
- Scientific Data, 2024, v. 11, n. 1, p. 1, doi. 10.1038/s41597-024-03709-y
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- Publication type:
- Article
Activation of Ni Particles into Single Ni–N Atoms for Efficient Electrochemical Reduction of CO<sub>2</sub>.
- Published in:
- Advanced Energy Materials, 2020, v. 10, n. 5, p. N.PAG, doi. 10.1002/aenm.201903068
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- Publication type:
- Article
Hydrated Intercalation for High‐Performance Aqueous Zinc Ion Batteries.
- Published in:
- Advanced Energy Materials, 2019, v. 9, n. 14, p. N.PAG, doi. 10.1002/aenm.201900083
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- Publication type:
- Article
Perovskite synthesizability using graph neural networks.
- Published in:
- NPJ Computational Materials, 2022, v. 8, n. 1, p. 1, doi. 10.1038/s41524-022-00757-z
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- Publication type:
- Article
Activating Transition Metal Dichalcogenides by Substitutional Nitrogen‐Doping for Potential ORR Electrocatalysts.
- Published in:
- ChemElectroChem, 2018, v. 5, n. 24, p. 4029, doi. 10.1002/celc.201801003
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- Publication type:
- Article
Double‐Walled Tubular Heusler‐Type Platinum–Ruthenium Phosphide as All‐pH Hydrogen Evolution Reaction Catalyst Outperforming Platinum and Ruthenium (Adv. Energy Mater. 12/2024).
- Published in:
- Advanced Energy Materials, 2024, v. 14, n. 12, p. 1, doi. 10.1002/aenm.202470055
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- Publication type:
- Article
Double‐Walled Tubular Heusler‐Type Platinum–Ruthenium Phosphide as All‐pH Hydrogen Evolution Reaction Catalyst Outperforming Platinum and Ruthenium.
- Published in:
- Advanced Energy Materials, 2024, v. 14, n. 12, p. 1, doi. 10.1002/aenm.202304269
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- Publication type:
- Article
Corrigendum: A perspective on the density matrix purification for linear scaling electronic structure calculations.
- Published in:
- International Journal of Quantum Chemistry, 2016, v. 116, n. 24, p. 1898, doi. 10.1002/qua.25305
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- Article
Theoretical chemistry in Korea: Professor Yoon Sup Lee and the early stages of theoretical chemistry in Korea.
- Published in:
- 2016
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- Publication type:
- Editorial
A perspective on the density matrix purification for linear scaling electronic structure calculations.
- Published in:
- 2016
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- Publication type:
- Other
A perspective on the electronic structure calculations for properties of battery electrode materials.
- Published in:
- 2015
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- Publication type:
- Other
Recent progress in computational discovery of Heusler alloys.
- Published in:
- Bulletin of the Korean Chemical Society, 2022, v. 43, n. 4, p. 484, doi. 10.1002/bkcs.12484
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- Publication type:
- Article
Adsorption of Carbon Dioxide on Unsaturated Metal Sites in M<sub>2</sub>(dobpdc) Frameworks with Exceptional Structural Stability and Relation between Lewis Acidity and Adsorption Enthalpy.
- Published in:
- Chemistry - A European Journal, 2016, v. 22, n. 22, p. 7444, doi. 10.1002/chem.201600189
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- Publication type:
- Article
Alcohol Dimer is Requisite to Form an Alkyl Oxonium Ion in the Proton Transfer of a Strong (Photo)Acid to Alcohol.
- Published in:
- Chemistry - A European Journal, 2016, v. 22, n. 13, p. 4301, doi. 10.1002/chem.201600695
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- Publication type:
- Article
Cover Picture: Alcohol Dimer is Requisite to Form an Alkyl Oxonium Ion in the Proton Transfer of a Strong (Photo)Acid to Alcohol (Chem. Eur. J. 13/2016).
- Published in:
- Chemistry - A European Journal, 2016, v. 22, n. 13, p. 4297, doi. 10.1002/chem.201600693
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- Publication type:
- Article
Alcohol Dimer is Requisite to Form an Alkyl Oxonium Ion in the Proton Transfer of a Strong (Photo)Acid to Alcohol.
- Published in:
- Chemistry - A European Journal, 2016, v. 22, n. 13, p. 4340, doi. 10.1002/chem.201503948
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- Publication type:
- Article
Single‐Atom Molybdenum‐N<sub>3</sub> Sites for Selective Hydrogenation of CO<sub>2</sub> to CO.
- Published in:
- Angewandte Chemie, 2022, v. 134, n. 37, p. 1, doi. 10.1002/ange.202203836
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- Publication type:
- Article
Strengthening effect of single-atomic-layer graphene in metal-graphene nanolayered composites.
- Published in:
- Nature Communications, 2013, v. 4, n. 7, p. 2114, doi. 10.1038/ncomms3114
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- Publication type:
- Article
Unprecedented high-temperature CO<sub>2</sub> selectivity in N<sub>2</sub>-phobic nanoporous covalent organic polymers.
- Published in:
- Nature Communications, 2013, v. 4, n. 1, p. 1357, doi. 10.1038/ncomms2359
- By:
- Publication type:
- Article
Single‐Atom Molybdenum‐N<sub>3</sub> Sites for Selective Hydrogenation of CO<sub>2</sub> to CO.
- Published in:
- Angewandte Chemie International Edition, 2022, v. 61, n. 37, p. 1, doi. 10.1002/anie.202203836
- By:
- Publication type:
- Article
Pd<sub>3</sub>Pb Nanosponges for Selective Conversion of Furfural to Furfuryl Alcohol under Mild Condition.
- Published in:
- Small Methods, 2021, v. 5, n. 7, p. 1, doi. 10.1002/smtd.202100400
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- Publication type:
- Article
A structure translation model for crystal compounds.
- Published in:
- NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-01094-5
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- Publication type:
- Article
A Novel Fabrication of 3.6 nm High Graphene Nanochannels for Ultrafast Ion Transport.
- Published in:
- Advanced Materials, 2017, v. 29, n. 17, p. n/a, doi. 10.1002/adma.201605854
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- Publication type:
- Article
Ordered Supramolecular Gels Based on Graphene Oxide and Tetracationic Cyclophanes.
- Published in:
- Advanced Materials, 2014, v. 26, n. 17, p. 2725, doi. 10.1002/adma.201304334
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- Publication type:
- Article
Optimal Activation of Porous Carbon for High Performance CO<sub>2</sub> Capture.
- Published in:
- ChemNanoMat, 2016, v. 2, n. 6, p. 528, doi. 10.1002/cnma.201600082
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- Publication type:
- Article
Improved reversibility in lithium-oxygen battery: Understanding elementary reactions and surface charge engineering of metal alloy catalyst.
- Published in:
- Scientific Reports, 2014, p. 1, doi. 10.1038/srep04225
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- Publication type:
- Article
Between Scylla and Charybdis: Hydrophobic Graphene-Guided Water Diffusion on Hydrophilic Substrates.
- Published in:
- Scientific Reports, 2013, p. 1, doi. 10.1038/srep02309
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- Publication type:
- Article
Boosting hot electron flux and catalytic activity at metal-oxide interfaces of PtCo bimetallic nanoparticles.
- Published in:
- Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-018-04713-8
- By:
- Publication type:
- Article
Nanostructuring one-dimensional and amorphous lithium peroxide for high round-trip efficiency in lithium-oxygen batteries.
- Published in:
- Nature Communications, 2018, v. 9, n. 1, p. 1, doi. 10.1038/s41467-017-02727-2
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- Publication type:
- Article