标题： 扩展耗散运动方程方法研究吸附原子-石墨烯复合物中的电子迁移 显示英文标题

标题： Extended dissipaton-equation-of-motion approach to study the electronic migration in adatom-graphene composite

摘要： 石墨烯因其独特的性质而受到广泛关注。 在其众多引人入胜的特性中，吸附原子（附着原子）引起的调制效应为石墨烯基电子器件的设计提供了巨大的潜力。 本工作探讨了附着原子-石墨烯复合材料中的电子迁移，使用扩展耗散方程运动（DEOM）方法。 作为一种针对嵌入由非相互作用电子组成的环境中的开放量子系统的精确动力学理论，扩展的DEOM能够处理线性和二次环境耦合（某种非高斯效应），这些耦合描述了附着原子与石墨烯基底之间的相互作用。 我们通过模拟不同库仑排斥强度下的附着原子谱函数，展示了并分析了附着原子-石墨烯相关特性以及调制效应。 本工作不仅提供了先进的理论方法，还为复杂功能材料（如石墨烯基电子器件）的理论研究提供了新的见解。 显示英文摘要

摘要： Graphene has garnered significant attention due to its unique properties. Among its many intriguing characteristics, the tuning effects induced by adsorbed atoms (adatoms) provide immense potential for the design of graphene-based electronic devices. This work explores the electronic migration in the adatom-graphene composite, using the extended dissipaton-equation-of-motion (DEOM) approach. As an exact dynamics theory for open quantum systems embedded in environments composed of non-interacting electrons, the extended DEOM is capable of handling both linear and quadratic environmental couplings (a certain non-Gaussian effect) which account for the interactions between the adatom and the graphene substrate. We demonstrate and analyze the adatom-graphene correlated properties and the tuning effects by simulating the adatom spectral functions with varied Coulomb repulsion strengths. This work offers not only advanced theoretical methods but also new insights into the theoretical investigation of complex functional materials such as graphene-based electronic devices.