Department of Chemical Engineering, Kansas State University, Manhattan, Kansas 66506, USA.
Small. 2013 Feb 11;9(3):341-50. doi: 10.1002/smll.201202196. Epub 2012 Nov 21.
Functionalization of graphene is essential to interface it with other moieties to expand the scope of its electrical/electronic applications. However, chemical functionalization and/or molecular interactions on graphene sensitively modulate its electrical properties. To evaluate and take advantage of the properties of functionalized graphene, it is important to understand how its electrical attributes (such as carrier scattering, carrier concentration, charge polarity, quantum-capacitance enhanced doping, energy levels, transport mechanisms, and orbital hybridization of energy-bands) are influenced by a change in carbon's structural conformation, hybridization state, chemical potential, local energy levels, and dopant/interface coupling induced via functionalization or molecular interactions. Here, a detailed and integrated model describes factors influencing these electrical characteristics of functionalized graphene (covalent bonds, adsorption, π-π bonds, and lattice incorporation). The electrical properties are governed via three mechanisms: (a) conversion of carbon's hybridized state, (b) dipole interactions enhanced via quantum capacitance, and (c) orbital hybridization with an interfacing molecule. A few graphenic materials are also identified where further studies are essential to understand the effect of their functionalization.
石墨烯的功能化对于将其与其他基团结合以扩展其电/电子应用范围至关重要。然而,石墨烯上的化学功能化和/或分子相互作用会敏感地调节其电学性质。为了评估和利用功能化石墨烯的性质,了解其电属性(例如载流子散射、载流子浓度、电荷极性、量子电容增强掺杂、能级、传输机制以及能带的轨道杂化)如何受到碳结构构象、杂化状态、化学势、局部能级以及功能化或分子相互作用引起的掺杂/界面耦合的变化的影响非常重要。在这里,详细和综合的模型描述了影响功能化石墨烯这些电特性的因素(共价键、吸附、π-π 键和晶格掺入)。电特性受三种机制控制:(a)碳的杂化状态的转换,(b)通过量子电容增强的偶极相互作用,以及(c)与界面分子的轨道杂化。还确定了一些石墨烯材料,需要进一步研究以了解它们功能化的影响。