Results 31 to 40 of about 1,240 (156)
Thermal effects on the Raman phonon of few-layer phosphorene
APL Materials, 2015 Two-dimensional phosphorene is a promising channel material for next generation transistor applications due to its superior carrier transport property. Here, we report the influence of thermal effects on the Raman phonon of few-layer phosphorene formed ...
Zhi-Peng Ling, Kah-Wee Ang
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Stacking-dependent excitonic properties of bilayer blue phosphorene
Physical Review B, 2019 Ab initio calculations in the framework of many-body perturbation theory (MBPT) are performed to calculate the electronic and optical properties of monolayer and bilayer blue phosphorene with different stacking configurations. It is found that the stacking configuration of bilayer blue phosphorene strongly affects the electronic band gap of the ...
Iyikanat, F. +3 more
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Nanophotonics, 2019 Unlike traditional two-dimensional layered materials, tellurium (Te) shows its one-dimensional van der Waals structure and triggers intensive researches. Through a density functional theory coupled with the nonequilibrium Green’s function calculation, we
Gao Siyan, Sun Changqing, Zhang Xi
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Xenes for Sustainable Energy: A Roadmap From First‐Principles Design to Practical Deployment
Advanced Materials Interfaces, EarlyView.Emerging 2D Xenes are advancing from theoretical predictions toward practical energy‐storage and conversion technologies through the integration of first‐principles modelling, experimental synthesis, electrochemical validation, and AI‐assisted materials design, enabling accelerated discovery of high‐performance and sustainable electrochemical systems ...
Onur Karaman, Ceren Karaman
wiley +1 more source
Structural, electronic, and electromechanical properties of MoSSe/blue phosphorene heterobilayer
AIP Advances, 2019 Two-dimensional (2D) materials attract considerable interest due to their outstanding electronic and mechanical properties. Although extensive efforts have been made on seeking of new kinds of 2D materials, individual ones can hardly offer all required ...
Xiaobao Li +4 more
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Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics
Advanced Science, EarlyView.Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai +3 more
wiley +1 more source
Topological Materials and Related Applications
Advanced Electronic Materials, EarlyView.This review covers topological materials—including topological insulators, quantum valley Hall and quantum spin Hall insulators, and topological Weyl and Dirac semimetals—as well as their most recent advancements in fields such as spintronics, electronics, photonics, thermoelectrics, and catalysis.
Carlo Grazianetti +9 more
wiley +1 more source
Advanced Intelligent Discovery, EarlyView.Machine learning serves as a central engine for the intelligent characterization of two‐dimensional materials by integrating multimodal techniques, including optical microscopy, spectroscopy, electron microscopy, and scanning probe microscopy (SPM). This unified framework enables automated, high‐throughput, and quantitative extraction of structural ...
Zhi‐Long Cao, Jia‐Xu Yan
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Phase stability and interlayer interaction of blue phosphorene
Physical Review B, 2018 In this work, we study the interlayer interactions between sheets of blue phosphorus with quantum Monte Carlo (QMC) methods. We find that as previously observed in black phosphorus, interlayer binding of blue phosphorus cannot be described by van der Waals (vdW) interactions alone within the density functional theory framework. Specifically, while some
Jeonghwan Ahn +6 more
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Superconducting properties of doped blue phosphorene: effects of non-adiabatic approach
2D Materials, 2022 Abstract We study the effects of Kohn anomalies on the superconducting properties in electron- and hole-doped cases of monolayer blue phosphorene (BLP), considering both adiabatic and non-adiabatic phonon dispersions using first-principles calculations. We show that the topology of the Fermi surface is crucial for
Mohammad Alidoosti +2 more
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