Electronic Structure and Energetic Stability of Corner-Engineered Zigzag Graphene Nanoribbons Synthesized by a Bottom-Up Approach

Zigzag graphene nanoribbons have attracted considerable research interest because of their distinctive edge states, tunable electronic properties and potential applications in nanoscale electronic and spintronic devices. In this study, the electronic structure and energetic stability of corner-engineered zigzag graphene nanoribbons synthesized through a bottom-up approach are investigated. Particular emphasis is placed on understanding how nanometer-scale corners, edge configurations and atomic arrangements influence the electronic energy spectrum, density of states, band structure and structural stability. The bottom-up synthesis strategy offers opportunities for precise control over the atomic geometry and edge topology, enabling systematic investigation of structure–property relationships. The energetic stability of different corner configurations can be assessed by comparing their total energies and formation energies, while electronic characteristics can be evaluated using appropriate first-principles computational methods, such as density functional theory. The study also examines how variations in corner geometry affect the formation of localized electronic states, the tuning of the band gap and the emergence of potentially spin-polarized edge states. This investigation provides a theoretical framework for understanding the relationship between atomic-scale structural modifications and the resulting electronic behavior of zigzag graphene nanoribbons. The findings are expected to support the rational design of structurally stable, electronically tunable graphene nanostructures for future applications in nano electronics, quantum devices and advanced carbon-based functional materials

Zigzag Graphene Nanoribbons; Corner Engineering; Electronic Structure; Energetic Stability; Bottom-Up Synthesis; Edge States; Spin-Polarized States.

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