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Defect and Doping Properties of Two-Dimensional PdSe 2

https://doi.org/10.1021/acs.jpcc.2c06220

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Highly In‐Plane Anisotropic 2D PdSe 2 for Polarized Photodetection with Orientation Selectivity

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Broadband Nonlinear Photoresponse and Ultrafast Carrier Dynamics of 2D PdSe2

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Effect of the damping function in dispersion corrected density functional theory

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Layer‐Tunable Nonlinear Optical Characteristics and Photocarrier Dynamics of 2D PdSe 2 in Broadband Spectra

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Various Structures of 2D Transition‐Metal Dichalcogenides and Their Applications

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The analysis of a plane wave pseudopotential density functional theory code on a GPU machine

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Optimization algorithm for the generation of ONCV pseudopotentials

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CoFFEE: Corrections For Formation Energy and Eigenvalues for charged defect simulations

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Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines

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Progress and Prospects in Transition-Metal Dichalcogenide Research Beyond 2D

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Implementation and Validation of Fully Relativistic GW Calculations: Spin–Orbit Coupling in Molecules, Nanocrystals, and Solids

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Defects in Highly Anisotropic Transition-Metal Dichalcogenide PdSe 2

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Modulation Doping: A Strategy for 2D Materials Electronics

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PdSe 2 : Pentagonal Two-Dimensional Layers with High Air Stability for Electronics

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Giant nonlinear optical activity in two-dimensional palladium diselenide

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Identification of two-dimensional layered dielectrics from first principles

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Modulation doping of transition metal dichalcogenide/oxide heterostructures

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A new 2D high-pressure phase of PdSe 2 with high-mobility transport anisotropy for photovoltaic applications

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Mixed-dimensional PdSe 2 /SiNWA heterostructure based photovoltaic detectors for self-driven, broadband photodetection, infrared imaging and humidity sensing

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Thickness-dependent anisotropic transport of phonons and charges in few-layered PdSe 2

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Electronic properties of intrinsic vacancies in single-layer CaF2 and its heterostructure with monolayer MoS2

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Van der Waals heterojunction ReSe2/WSe2 polarization-resolved photodetector

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DASP: Defect and Dopant ab-initio Simulation Package

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Photoluminescence study of trap-state defect on TiO2thin films at different substrate temperature via RF magnetron sputtering

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Defect engineering of two-dimensional transition metal dichalcogenides

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Layer dependence of defect charge transition levels in two-dimensional materials

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Realistic dimension-independent approach for charged-defect calculations in semiconductors

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Self-consistently determining structures of charged defects and defect ionization energies in low-dimensional semiconductors

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Quasiparticle band structures of bulk and few-layer PdSe 2 from first-principles G W calculations

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Point and complex defects in monolayer PdSe2 : Evolution of electronic structure and emergence of magnetism

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Ab initiocalculation of the macroscopic dielectric constant in silicon

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Ab initiostatic dielectric matrices from the density-functional approach. I. Formulation and application to semiconductors and insulators

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Linear optical properties in the projector-augmented wave methodology

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Optimized norm-conserving Vanderbilt pseudopotentials

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Surface-sensitive measurement of dielectric screening via atom and electron manipulations

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Pressure-induced superconductivity up to 13.1 K in the pyrite phase of palladium diselenide PdSe2

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Fundamental principles for calculating charged defect ionization energies in ultrathin two-dimensional materials

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Substrate effects on charged defects in two-dimensional materials

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What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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First-Principles Investigation of Janus Penta-PdXY (X = S, Se, Te; Y = O, Se, Te; X ≠ Y) Monolayers with High Piezoelectricity and Tunable Electronic Properties for Flexible Piezoelectric Sensors

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Adsorption effects of acetone and acetonitrile on defected penta-PdSe 2 nanoribbons: a DFT study

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A Perspective on the state-of-the-art functionalized 2D materials

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Theoretical dissection of the electronic anisotropy and quantum transport of ultrascaled halogenated borophene MOSFETs

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Dimensional crossover and emergence of novel phases in puckered PdSe 2 under pressure

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