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Mo<sub>2</sub>P Monolayer as a Superior Electrocatalyst for Urea Synthesis from Nitrogen and Carbon Dioxide Fixation: A Computational Study.
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- Energy & Environmental Materials, 2024, v. 7, n. 1, p. 1, doi. 10.1002/eem2.12496
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- Article
New Platinum Complexes from Salen- and Hydroxy-Substituted Salpn-Naphthalene Ligands with CO 2 Reduction Activity.
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- Catalysts (2073-4344), 2023, v. 13, n. 5, p. 911, doi. 10.3390/catal13050911
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- Article
Trinuclear and Cyclometallated Organometallic Dinuclear Pt-Pyrazolato Complexes: A Combined Experimental and Theoretical Study.
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- Chemistry (2624-8549), 2023, v. 5, n. 1, p. 187, doi. 10.3390/chemistry5010016
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A polymeric hydrogel electrocatalyst for direct water oxidation.
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- Nature Communications, 2023, n. 1, p. 1, doi. 10.1038/s41467-023-36532-x
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- Article
He's Yangchao Recipe Ameliorates Ovarian Oxidative Stress of Aging Mice under Consecutive Superovulation Involving JNK- And P53-Related Mechanism.
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- Evidence-based Complementary & Alternative Medicine (eCAM), 2022, p. 1, doi. 10.1155/2022/7705194
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- Article
Understanding the CH 4 Conversion over Metal Dimers from First Principles.
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- Nanomaterials (2079-4991), 2022, v. 12, n. 9, p. 1518, doi. 10.3390/nano12091518
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- Article
Molecular Crowding Effect in Aqueous Electrolytes to Suppress Hydrogen Reduction Reaction and Enhance Electrochemical Nitrogen Reduction.
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- Advanced Energy Materials, 2021, v. 11, n. 36, p. 1, doi. 10.1002/aenm.202101699
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- Article
Controllable CO<sub>2</sub> electrocatalytic reduction via ferroelectric switching on single atom anchored In<sub>2</sub>Se<sub>3</sub> monolayer.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-25426-5
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- Article
Identifying the Activity Origin of a Cobalt Single-Atom Catalyst for Hydrogen Evolution Using Supervised Learning.
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- Advanced Functional Materials, 2021, v. 31, n. 18, p. 1, doi. 10.1002/adfm.202100547
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Double‐sided surface functionalization: An effective approach to stabilize and modulate the electronic structure of graphene‐like borophene.
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- InfoMat, 2021, v. 3, n. 3, p. 327, doi. 10.1002/inf2.12126
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- Article
In Situ Observation of Non‐Classical 2‐Norbornyl Cation in Confined Zeolites at Ambient Temperature.
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- Angewandte Chemie, 2021, v. 133, n. 9, p. 4631, doi. 10.1002/ange.202013384
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- Article
Rücktitelbild: In Situ Observation of Non‐Classical 2‐Norbornyl Cation in Confined Zeolites at Ambient Temperature (Angew. Chem. 9/2021).
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- Angewandte Chemie, 2021, v. 133, n. 9, p. 5004, doi. 10.1002/ange.202101147
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- Article
In Situ Observation of Non‐Classical 2‐Norbornyl Cation in Confined Zeolites at Ambient Temperature.
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- Angewandte Chemie International Edition, 2021, v. 60, n. 9, p. 4581, doi. 10.1002/anie.202013384
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Back Cover: In Situ Observation of Non‐Classical 2‐Norbornyl Cation in Confined Zeolites at Ambient Temperature (Angew. Chem. Int. Ed. 9/2021).
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- Angewandte Chemie International Edition, 2021, v. 60, n. 9, p. 4952, doi. 10.1002/anie.202101147
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- Article
Establishing a Theoretical Landscape for Identifying Basal Plane Active 2D Metal Borides (MBenes) toward Nitrogen Electroreduction.
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- Advanced Functional Materials, 2021, v. 31, n. 6, p. 1, doi. 10.1002/adfm.202008056
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- Article
Relative Efficacy of Co−X<sub>4</sub> Embedded Graphene (X=N, S, B, and P) Electrocatalysts towards Hydrogen Evolution Reaction: Is Nitrogen Really the Best Choice?
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- ChemCatChem, 2020, v. 12, n. 2, p. 536, doi. 10.1002/cctc.201901293
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- Article
Oxygen Evolution Reaction on 2D Ferromagnetic Fe<sub>3</sub>GeTe<sub>2</sub>: Boosting the Reactivity by the Self‐Reduction of Surface Hydroxyl.
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- Advanced Functional Materials, 2019, v. 29, n. 44, p. N.PAG, doi. 10.1002/adfm.201904782
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- Article
Boosting ORR/OER Activity of Graphdiyne by Simple Heteroatom Doping.
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- Small Methods, 2019, v. 3, n. 9, p. N.PAG, doi. 10.1002/smtd.201800550
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- Article
1 + 1′ > 2: Heteronuclear Biatom Catalyst Outperforms Its Homonuclear Counterparts for CO Oxidation.
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- Small Methods, 2019, v. 3, n. 9, p. N.PAG, doi. 10.1002/smtd.201800480
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- Article
Nonvolatile Electrical Control and Heterointerface‐Induced Half‐Metallicity of 2D Ferromagnets.
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- Advanced Functional Materials, 2019, v. 29, n. 24, p. N.PAG, doi. 10.1002/adfm.201901420
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- Article
Computational Screening of Efficient Single‐Atom Catalysts Based on Graphitic Carbon Nitride (g‐C<sub>3</sub>N<sub>4</sub>) for Nitrogen Electroreduction.
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- Small Methods, 2019, v. 3, n. 6, p. N.PAG, doi. 10.1002/smtd.201800368
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- Article
Highly Efficient Photocatalytic Degradation of Dyes by a Copper–Triazolate Metal–Organic Framework.
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- Chemistry - A European Journal, 2018, v. 24, n. 63, p. 16804, doi. 10.1002/chem.201803306
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- Article
Frontispiece: Aromaticity and Antiaromaticity in Zintl Clusters.
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- Chemistry - A European Journal, 2018, v. 24, n. 55, p. 1, doi. 10.1002/chem.201885562
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- Article
Aromaticity and Antiaromaticity in Zintl Clusters.
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- Chemistry - A European Journal, 2018, v. 24, n. 55, p. 14583, doi. 10.1002/chem.201801715
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- Article
Recent Advances in Aromatic Antimony Clusters.
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- Chinese Journal of Chemistry, 2018, v. 36, n. 10, p. 955, doi. 10.1002/cjoc.201800251
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- Article
Thiol-maleimide poly(ethylene glycol) crosslinking of L-asparaginase subunits at recombinant cysteine residues introduced by mutagenesis.
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- PLoS ONE, 2018, v. 13, n. 7, p. 1, doi. 10.1371/journal.pone.0197643
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- Article
High-Performance Ru<sub>1</sub>/CeO<sub>2</sub> Single-Atom Catalyst for CO Oxidation: A Computational Exploration.
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- ChemPhysChem, 2016, v. 17, n. 20, p. 3170, doi. 10.1002/cphc.201600540
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- Article
Anomalous Enhancement of Mechanical Properties in the Ammonia Adsorbed Defective Graphene.
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- Scientific Reports, 2016, p. 33810, doi. 10.1038/srep33810
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- Article
Computational investigation on MB<sub>n</sub> (M = Li-Cs, Be-Ba, Sc-La and Ti; n = 28 and 38)
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- Journal of Molecular Modeling, 2016, v. 22, n. 8, p. 1, doi. 10.1007/s00894-016-3055-4
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- Article
Evolution of Moiré Profiles from van der Waals Superstructures of Boron Nitride Nanosheets.
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- Scientific Reports, 2016, p. 26084, doi. 10.1038/srep26084
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- Article
Semi-metallic Be<sub>5</sub>C<sub>2</sub> monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson's ratio.
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- Nature Communications, 2016, v. 7, n. 5, p. 11488, doi. 10.1038/ncomms11488
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- Article
Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities.
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- Angewandte Chemie, 2016, v. 128, n. 5, p. 1698, doi. 10.1002/ange.201507568
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- Article
Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 5, p. 1666, doi. 10.1002/anie.201507568
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- Article
Single Layer Bismuth Iodide: Computational Exploration of Structural, Electrical, Mechanical and Optical Properties.
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- Scientific Reports, 2015, v. 5, n. 1, p. 17558, doi. 10.1038/srep17558
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- Article
Oxidative Etching of Hexagonal Boron Nitride Toward Nanosheets with Defined Edges and Holes.
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- Scientific Reports, 2015, p. 14510, doi. 10.1038/srep14510
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Innovation and discovery of graphene-like materials via density-functional theory computations.
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- WIREs: Computational Molecular Science, 2015, v. 5, n. 5, p. 360, doi. 10.1002/wcms.1224
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- Article
Vier Jahrzehnte Chemie der planar hyperkoordinierten Verbindungen.
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- Angewandte Chemie, 2015, v. 127, n. 33, p. 9602, doi. 10.1002/ange.201410407
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- Article
Four Decades of the Chemistry of Planar Hypercoordinate Compounds.
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- Angewandte Chemie International Edition, 2015, v. 54, n. 33, p. 9468, doi. 10.1002/anie.201410407
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- Article
Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions.
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- Angewandte Chemie, 2015, v. 127, n. 10, p. 3155, doi. 10.1002/ange.201411246
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- Article
Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions.
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- Angewandte Chemie International Edition, 2015, v. 54, n. 10, p. 3112, doi. 10.1002/anie.201411246
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- Article
Computational investigation on the endohedral borofullerenes M@B40 (M = Sc, Y, La).
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 2, p. 1, doi. 10.1007/s00214-014-1612-4
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Design of Three-shell Icosahedral Matryoshka Clusters A@B<sub>12</sub>@A<sub>20</sub> (A = Sn, Pb; B = Mg, Zn, Cd, Mn).
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- Scientific Reports, 2014, p. 1, doi. 10.1038/srep06915
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- Article
Chemical Sharpening, Shortening, and Unzipping of Boron Nitride Nanotubes.
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- Advanced Functional Materials, 2014, v. 24, n. 28, p. 4497, doi. 10.1002/adfm.201400599
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Nanotubes: Chemical Sharpening, Shortening, and Unzipping of Boron Nitride Nanotubes (Adv. Funct. Mater. 28/2014).
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- Advanced Functional Materials, 2014, v. 24, n. 28, p. 4560, doi. 10.1002/adfm.201470187
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- Article
Be<sub>2</sub>C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure.
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- Angewandte Chemie, 2014, v. 126, n. 28, p. 7376, doi. 10.1002/ange.201403833
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- Article
Innenrücktitelbild: Be<sub>2</sub>C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure (Angew. Chem. 28/2014).
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- Angewandte Chemie, 2014, v. 126, n. 28, p. 7497, doi. 10.1002/ange.201405103
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- Article
Be<sub>2</sub>C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure.
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- Angewandte Chemie International Edition, 2014, v. 53, n. 28, p. 7248, doi. 10.1002/anie.201403833
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- Article
Inside Back Cover: Be<sub>2</sub>C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure (Angew. Chem. Int. Ed. 28/2014).
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- Angewandte Chemie International Edition, 2014, v. 53, n. 28, p. 7369, doi. 10.1002/anie.201405103
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- Article
Computational quest for spherical CB fullerenes with ' magic' π-electrons and quasi-planar tetra-coordinated carbon.
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- Journal of Molecular Modeling, 2014, v. 20, n. 2, p. 1, doi. 10.1007/s00894-014-2085-z
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- Article
Graphene Nanoribbons: An Effective Approach to Achieve a Spin Gapless Semiconductor-Half-Metal-Metal Transition in Zigzag Graphene Nanoribbons: Attaching A Floating Induced Dipole Field via π- π Interactions (Adv. Funct. Mater. 12/2013).
- Published in:
- Advanced Functional Materials, 2013, v. 23, n. 12, p. 1478, doi. 10.1002/adfm.201370060
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- Article