The reconstruction of the symmetry between sublattices: a strategy to improve the transport properties of edge-defective graphene nanoribbon transistors
Literature Information
Shizhuo Ye, Hao Wang, Minzheng Qiu, Yi Zeng, Qijun Huang, Jin He, Sheng Chang
A numerical study that combines device simulation and first-principle calculations is performed, aiming to alleviate the performance degradation of graphene nanoribbon field-effect devices with edge defects. We believe that investigating the symmetry between the sublattices of graphene is a novel approach to understand this key problem. The results show that the edge defects that break the symmetry between the sublattices of graphene cause more severe degradation of the device performance because they induce highly localized electronic states, which dramatically affect the transport of carriers. We propose a strategy to alleviate the localization of electronic states by rebuilding the symmetry between the sublattices. This strategy can be realized by introducing foreign radicals to modify the defective edge. A stability analysis is performed to find the most stable modified structures. The final effect of our strategy on the corresponding devices demonstrates that it can effectively address specific edge defects and remarkably improve the ON-state current and subthreshold swing.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














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