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Cation‐Induced Deep Reconstruction and Self‐Optimization of NiFe Phosphide Precatalysts for Hydrogen Evolution and Overall Water Splitting.
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- Advanced Functional Materials, 2024, v. 34, n. 28, p. 1, doi. 10.1002/adfm.202314172
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Efficient Implementation of the Binary Common Neighbor Analysis for Platinum-Based Intermetallics.
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- Metals (2075-4701), 2024, v. 14, n. 6, p. 614, doi. 10.3390/met14060614
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- Article
Atomistic Simulation Study of Grain Boundary Segregation and Grain Boundary Migration in Ni-Cr Alloys.
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- Metals (2075-4701), 2024, v. 14, n. 4, p. 454, doi. 10.3390/met14040454
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Studying Plastic Deformation Mechanism in β-Ti-Nb Alloys by Molecular Dynamic Simulations.
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- Metals (2075-4701), 2024, v. 14, n. 3, p. 318, doi. 10.3390/met14030318
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Oxygen Defect Engineering Promotes Synergy Between Adsorbate Evolution and Single Lattice Oxygen Mechanisms of OER in Transition Metal‐Based (oxy)Hydroxide.
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- Advanced Science, 2023, v. 10, n. 32, p. 1, doi. 10.1002/advs.202303321
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- Article
A General Strategy for Synthesis of Binary Transition Metal Phosphides Hollow Sandwich Heterostructures.
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- Small, 2023, v. 19, n. 30, p. 1, doi. 10.1002/smll.202302906
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- Article
Pattern Formation under Deep Supercooling by Classical Density Functional-Based Approach.
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- Entropy, 2023, v. 25, n. 5, p. 708, doi. 10.3390/e25050708
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Coordinated restoration optimization of power-gas integrated energy system with mobile emergency sources.
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- Global Energy Interconnection, 2023, v. 6, n. 2, p. 205, doi. 10.1016/j.gloei.2023.04.008
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- Article
Atomic simulation of effects of Ʃ5 grain boundary on mechanical properties of Ni<sub>3</sub>Al.
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- European Physical Journal B: Condensed Matter, 2022, v. 95, n. 11, p. 1, doi. 10.1140/epjb/s10051-022-00444-4
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- Article
The Microstructural Evolution of Nickel Single Crystal under Cyclic Deformation and Hyper-Gravity Conditions: A Molecular Dynamics Study.
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- Metals (2075-4701), 2022, v. 12, n. 7, p. N.PAG, doi. 10.3390/met12071128
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- Article
Effects of Point Defects on the Stable Occupation, Diffusion and Nucleation of Xe and Kr in UO 2.
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- Metals (2075-4701), 2022, v. 12, n. 5, p. 789, doi. 10.3390/met12050789
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- Article
The Role of Grain Boundaries in the Corrosion Process of Fe Surface: Insights from ReaxFF Molecular Dynamic Simulations.
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- Metals (2075-4701), 2022, v. 12, n. 5, p. 876, doi. 10.3390/met12050876
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- Article
Influence of orientation on crack propagation of aluminum by molecular dynamics.
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- European Physical Journal B: Condensed Matter, 2022, v. 95, n. 2, p. 1, doi. 10.1140/epjb/s10051-022-00285-1
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- Article
Solidification of Undercooled Liquid under Supergravity Field by Phase-Field Crystal Approach.
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- Metals (2075-4701), 2022, v. 12, n. 2, p. N.PAG, doi. 10.3390/met12020232
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- Article
Effect of Vacancies on Dynamic Response and Spallation in Single-Crystal Magnesium by Molecular Dynamic Simulation.
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- Metals (2075-4701), 2022, v. 12, n. 2, p. N.PAG, doi. 10.3390/met12020215
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- Article
2D Amorphous CoO Incorporated g‐C<sub>3</sub>N<sub>4</sub> Nanotubes for Improved Photocatalytic Performance.
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- Physica Status Solidi - Rapid Research Letters, 2021, v. 15, n. 9, p. 1, doi. 10.1002/pssr.202100254
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- Article
2D Amorphous CoO Incorporated g‐C<sub>3</sub>N<sub>4</sub> Nanotubes for Improved Photocatalytic Performance.
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- Physica Status Solidi - Rapid Research Letters, 2021, v. 15, n. 9, p. 1, doi. 10.1002/pssr.202100254
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- Article
High-Throughput One-Photon Excitation Pathway in 0D/3D Heterojunctions for Visible-Light Driven Hydrogen Evolution.
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- Advanced Functional Materials, 2021, v. 31, n. 18, p. 1, doi. 10.1002/adfm.202100816
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One‐Photon Excitation Pathway: High‐Throughput One‐Photon Excitation Pathway in 0D/3D Heterojunctions for Visible‐Light Driven Hydrogen Evolution (Adv. Funct. Mater. 18/2021)
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- Advanced Functional Materials, 2021, v. 31, n. 18, p. 1, doi. 10.1002/adfm.202170125
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- Article
Generalized Synthetic Strategy for Amorphous Transition Metal Oxides‐Based 2D Heterojunctions with Superb Photocatalytic Hydrogen and Oxygen Evolution.
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- Advanced Functional Materials, 2021, v. 31, n. 11, p. 1, doi. 10.1002/adfm.202009230
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- Article
Strain and Electric Field Controllable Schottky Barriers and Contact Types in Graphene-MoTe<sub>2</sub> van der Waals Heterostructure.
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- Nanoscale Research Letters, 2020, v. 15, n. 1, p. N.PAG, doi. 10.1186/s11671-020-03409-7
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- Article
In situ construction of hierarchical graphitic carbon nitride homojunction as robust bifunctional photoelectrocatalyst for overall water splitting.
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- Journal of Chemical Technology & Biotechnology, 2020, v. 95, n. 3, p. 758, doi. 10.1002/jctb.6261
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- Article
A comparative atomic simulation study of the configurations in M-Al (M = Mg, Ni, and Fe) nanoalloys: influence of alloying ability, surface energy, atomic radius, and atomic arrangement.
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- Journal of Nanoparticle Research, 2020, v. 22, n. 3, p. 1, doi. 10.1007/s11051-020-4756-2
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- Article
Ultrahigh Sensitivity and Selectivity of Pentagonal SiC<sub>2</sub> Monolayer Gas Sensors: The Synergistic Effect of Composition and Structural Topology.
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- Physica Status Solidi (B), 2020, v. 257, n. 3, p. 1, doi. 10.1002/pssb.201900445
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- Article
Dynamic self-diffusion behaviors of nickel adatoms on clusters with Wulff shape.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2020, v. 34, n. 5, p. N.PAG, doi. 10.1142/S0217979220500150
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- Article
Atomic simulation of mechanical properties of irradiated iron.
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- International Journal of Modern Physics C: Computational Physics & Physical Computation, 2020, v. 31, n. 2, p. N.PAG, doi. 10.1142/S0129183120500278
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- Article
Hierarchical Self-assembly of Well-Defined Louver-Like P-Doped Carbon Nitride Nanowire Arrays with Highly Efficient Hydrogen Evolution.
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- Nano-Micro Letters, 2020, v. 12, n. 1, p. N.PAG, doi. 10.1007/s40820-020-0399-1
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- Article
Hierarchical Self-assembly of Well-Defined Louver-Like P-Doped Carbon Nitride Nanowire Arrays with Highly Efficient Hydrogen Evolution.
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- Nano-Micro Letters, 2020, v. 12, n. 1, p. 1, doi. 10.1007/s40820-020-0399-1
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- Article
Electrostatic Potential Anomaly in 2D Janus Transition Metal Dichalcogenides.
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- Annalen der Physik, 2019, v. 531, n. 12, p. N.PAG, doi. 10.1002/andp.201900369
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- Article
Influence of Irradiation on Mechanical Properties of Nickel.
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- Advances in Materials Science & Engineering, 2019, p. 1, doi. 10.1155/2019/9892704
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- Article
Monolayer Phosphorene–Carbon Nanotube Heterostructures for Photocatalysis: Analysis by Density Functional Theory.
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- Nanoscale Research Letters, 2019, v. 14, n. 1, p. N.PAG, doi. 10.1186/s11671-019-3066-z
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Protonated supramolecular complex-induced porous graphitic carbon nitride nanosheets as bifunctional catalyst for water oxidation and organic pollutant degradation.
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- Journal of Materials Science, 2019, v. 54, n. 10, p. 7637, doi. 10.1007/s10853-019-03449-0
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Two‐Dimensional GaX/SnS<sub>2</sub> (X = S, Se) van der Waals Heterostructures for Photovoltaic Application: Heteroatom Doping Strategy to Boost Power Conversion Efficiency.
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- Physica Status Solidi - Rapid Research Letters, 2019, v. 13, n. 5, p. N.PAG, doi. 10.1002/pssr.201800565
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- Article
In-situ construction of 2D direct Z-scheme g-C<sub>3</sub>N<sub>4</sub>/g-C<sub>3</sub>N<sub>4</sub> homojunction with high photocatalytic activity.
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- Journal of Materials Science, 2018, v. 53, n. 23, p. 15882, doi. 10.1007/s10853-018-2762-x
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- Article
Compatibility of Molybdenum, Tungsten, and 304 Stainless Steel in Static Liquid Lithium Under High Vacuum.
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- Plasma Physics Reports, 2018, v. 44, n. 7, p. 671, doi. 10.1134/S1063780X18070036
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- Article
Interfacial Interactions in Monolayer and Few‐Layer SnS/CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Perovskite van der Waals Heterostructures and Their Effects on Electronic and Optical Properties.
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- ChemPhysChem, 2018, v. 19, n. 3, p. 291, doi. 10.1002/cphc.201701108
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- Article
Composition and Size Dependence of Alloying in Ni-Al Nanoparticles With Icosahedral and Rhombohedral Configurations: An Atomic Simulation Study.
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- Physica Status Solidi (B), 2017, v. 254, n. 11, p. n/a, doi. 10.1002/pssb.201700168
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- Article
Role of electrodes materials in determining the interfacial and magnetoelectric properties in BaTiO-based multiferroic tunnel junctions.
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- European Physical Journal B: Condensed Matter, 2017, v. 90, n. 10, p. 1, doi. 10.1140/epjb/e2017-80125-5
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- Article
Diffusion of Al dimers on the surface of Mg clusters.
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- European Physical Journal B: Condensed Matter, 2017, v. 90, n. 6, p. 1, doi. 10.1140/epjb/e2017-80028-5
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- Article
Atomic simulations for configurations and solid-liquid interface of Li-Fe and Li-Cu icosahedra.
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- Journal of Nanoparticle Research, 2017, v. 19, n. 4, p. 1, doi. 10.1007/s11051-017-3843-5
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- Article
Mechanism of enhanced photocatalytic activities on tungsten trioxide doped with sulfur: Dopant-type effects.
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- Modern Physics Letters B, 2016, v. 30, n. 27, p. 1, doi. 10.1142/S0217984916503401
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Nucleation and solid-liquid interfacial energy of Li nanoparticles: A molecular dynamics study.
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- Physica Status Solidi (B), 2016, v. 253, n. 10, p. 1941, doi. 10.1002/pssb.201600102
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- Article
Tensile mechanical properties of Ni-based superalloy of nanophases using molecular dynamics simulation.
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- Physica Status Solidi (B), 2016, v. 253, n. 4, p. 726, doi. 10.1002/pssb.201552149
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- Article
The anisotropic character of Snoek relaxation in FeC system: A kinetic Monte Carlo and molecular dynamics simulation.
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- Physica Status Solidi (B), 2015, v. 252, n. 6, p. 1382, doi. 10.1002/pssb.201451642
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Atomic simulation of fatigue crack propagation in NiAl.
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- Applied Physics A: Materials Science & Processing, 2015, v. 118, n. 4, p. 1399, doi. 10.1007/s00339-014-8895-0
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- Article
ANISOTROPY DIFFUSION DYNAMICS BEHAVIORS ON (110) SURFACES: A MOLECULAR DYNAMICS STUDY.
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- Surface Review & Letters, 2015, v. 22, n. 1, p. -1, doi. 10.1142/S0218625X15500134
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- Article
The cluster-size dependence of self-diffusion behavior: A single Re adatom on a hexahedral surface.
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- Physica Status Solidi (B), 2013, v. 250, n. 7, p. 1363, doi. 10.1002/pssb.201248396
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Temperature effects on growth configurations of Al atoms on an Fe rhombohedron: a molecular dynamics simulation.
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- Journal of Nanoparticle Research, 2013, v. 15, n. 6, p. 1, doi. 10.1007/s11051-013-1719-x
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- Article
Effect of Gaussian acoustic nanocavities in a narrow constriction on ballistic phonon transmission.
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- Applied Physics A: Materials Science & Processing, 2011, v. 104, n. 2, p. 635, doi. 10.1007/s00339-011-6477-y
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- Article
BALLISTIC PHONON TRANSPORT THROUGH GAUSSIAN ACOUSTIC NANOCAVITIES.
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- Modern Physics Letters B, 2011, v. 25, n. 19, p. 1631, doi. 10.1142/S0217984911026954
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- Article