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Suppressed Carrier Recombination in Janus MoSSe Bilayer Stacks: A Time-Domain Ab Initio Study
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The 54 checked references that resolve
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Graphitic Carbon Nitride (g-C<sub>3</sub>N<sub>4</sub>)-Based Photocatalysts for Artificial Photosynthesis and Environmental Remediation: Are We a Step Closer To Achieving Sustainability?
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resolves10.1021/acs.nanolett.7b02099
Effect of Carrier Localization on Electrical Transport and Noise at Individual Grain Boundaries in Monolayer MoS<sub>2</sub>
resolves10.1021/acs.nanolett.7b02123
Out-of-Plane Electromechanical Response of Monolayer Molybdenum Disulfide Measured by Piezoresponse Force Microscopy
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Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
resolves10.1021/acs.jpclett.8b03463
Intrinsic Electric Field-Induced Properties in Janus MoSSe van der Waals Structures
resolves10.1103/PhysRevB.98.165424
Universality of electronic characteristics and photocatalyst applications in the two-dimensional Janus transition metal dichalcogenides
resolves10.1021/acs.jpcc.7b11584
Janus Structures of Transition Metal Dichalcogenides as the Heterojunction Photocatalysts for Water Splitting
resolves10.1039/C7TA10015A
A Janus MoSSe monolayer: a potential wide solar-spectrum water-splitting photocatalyst with a low carrier recombination rate
resolves10.1021/acsnano.7b03313
Large In-Plane and Vertical Piezoelectricity in Janus Transition Metal Dichalchogenides
resolves10.1021/acs.nanolett.8b03474
Stacked Janus Device Concepts: Abrupt pn-Junctions and Cross-Plane Channels
resolves10.1103/PhysRevLett.105.136805
Atomically Thin
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline">
<mml:msub>
<mml:mi>MoS</mml:mi>
<mml:mn>2</mml:mn>
</mml:msub>
</mml:math>
: A New Direct-Gap Semiconductor
resolves10.1103/PhysRevB.88.045318
Theory of neutral and charged excitons in monolayer transition metal dichalcogenides
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Ultrafast charge transfer in atomically thin MoS2/WS2 heterostructures
resolves10.1038/srep01608
Optical signature of symmetry variations and spin-valley coupling in atomically thin tungsten dichalcogenides
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<i>Ab initio</i>molecular dynamics for open-shell transition metals
resolves10.1103/PhysRevB.54.11169
Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set
resolves10.1063/1.3382344
A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
resolves10.1002/jcc.20495
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
resolves10.1063/1.4953444
Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping
resolves10.1021/ct400934c
Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction
resolves10.1021/ct400641n
The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems
resolves10.1103/PhysRevB.99.165309
Photogenerated carrier dynamics at the anatase/rutile
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Ti</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>
interface
resolves10.1103/PhysRevLett.95.163001
Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics
resolves10.1103/PhysRevLett.100.197402
Nonradiative Quenching of Fluorescence in a Semiconducting Carbon Nanotube: A Time-Domain<i>Ab Initio</i>Study
resolves10.1103/PhysRev.140.A1133
Self-Consistent Equations Including Exchange and Correlation Effects
resolves10.1021/acs.nanolett.8b01501
Why Chemical Vapor Deposition Grown MoS<sub>2</sub> Samples Outperform Physical Vapor Deposition Samples: Time-Domain ab Initio Analysis
resolves10.1021/acs.nanolett.7b03429
Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface
resolves10.1021/acs.nanolett.5b05264
Quantum Coherence Facilitates Efficient Charge Separation at a MoS<sub>2</sub>/MoSe<sub>2</sub> van der Waals Junction
resolves10.1021/acsenergylett.8b00961
Long Carrier Lifetimes in PbI<sub>2</sub>-Rich Perovskites Rationalized by Ab Initio Nonadiabatic Molecular Dynamics
resolves10.1021/acsenergylett.8b01191
Increased Lattice Stiffness Suppresses Nonradiative Charge Recombination in MAPbI<sub>3</sub> Doped with Larger Cations: Time-Domain Ab Initio Analysis
resolves10.1021/acs.jpcc.7b10058
Nonadiabatic Molecular Dynamics Simulation of Charge Separation and Recombination at a WS<sub>2</sub>/QD Heterojunction
resolves10.1021/acs.jpclett.9b00042
Mono-Elemental Properties of 2D Black Phosphorus Ensure Extended Charge Carrier Lifetimes under Oxidation: Time-Domain Ab Initio Analysis
resolves10.1021/acs.jpclett.9b00641
Influence of Defects on Excited-State Dynamics in Lead Halide Perovskites: Time-Domain ab Initio Studies
resolves10.1088/1674-4926/36/12/122002
Theoretical study of defect impact on two-dimensional MoS<sub>2</sub>
resolves10.1103/PhysRevB.93.045407
Radiative lifetimes of excitons and trions in monolayers of the metal dichalcogenide<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>MoS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>
resolves10.1021/acs.jpcc.9b02198
Controllable Single-Molecule Light Emission by Selective Charge Injection in Scanning Tunneling Microscopy
resolves10.1039/C6NR02356H
Quantum mechanical modeling the emission pattern and polarization of nanoscale light emitting diodes
resolves10.1038/s41467-018-07135-8
Scalable high performance radio frequency electronics based on large domain bilayer MoS2
resolves10.1038/ncomms11504
The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures
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