Electrostatic Doping of 2-Dimensional Material with Organic Molecules

Bukuru Anaclet, Qunfei Zhou, Pierre Darancet Materials Research Science and Engineering Center, Northwestern University 633 Clark St, Evanston, IL 60208

Two-dimensional (2D) materials, such as graphene, hexagonal boron nitride and transition metal
dichalcogenides (TMDs) have shown remarkable electronic and optical properties making them
appealing in a wide range of optical-electronic devices. Most of those applications rely on
properties of the p-n junctions that are achieved by doping. The most widely used doping method
is chemical doping which usually introduces uncontrollable defects. In this work, we propose a
new strategy to dope 2D materials by surface adsorption of organic molecules, which have large
multipole moments that are also tunable by functional groups and orientation. Using first-
principles calculations based on density functional theory, we study the impact of C8-BTBT
molecular layer on electronic properties of graphene and 2D InSe. Our results show that the
organic molecular layer induce a electrostatic potential difference of about 0.8eV in different
regions of the 2D surfaces, which indicates that work function and electron affinity can be
significantly modified, creating in-plane P-N junctions modulable by the assembly of molecules.
Our work demonstrate that surface doping of polar organic molecules provides further
modulation on the functionality of 2D materials for high performance devices.

Additional Abstract Information

Presenter: Bukuru Anaclet

Institution: Pomona College

Type: Poster

Subject: Chemistry

Status: Approved

Time and Location

Session: Poster 4
Date/Time: Tue 11:00am-12:00pm
Session Number: 3548