A First-Principles Study on Electron Donor and Acceptor Molecules

Addition/Correction pubs.acs.org/JPCC

Correction to “A First-Principles Study on Electron Donor and Acceptor Molecules Adsorbed on Phosphorene” Ruiqi Zhang, Bin Li,* and Jinlong Yang* J. Phys. Chem. C 2015, 119 (5), 2871−2878. DOI: 10.1021/jp5116564

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e have become aware of an error in the original article. The donor molecule used in our study was actually 1,4,5,8-tetrathianaphthalene (TTN), but when writing the manuscript we committed a typing error so that it appeared as tetrathiafulvalene (TTF) in the original article. The former is an isomer of the latter, and they are both nucleophilic molecules and possess effective electron-donating capabilities. We indicate the changes to the article as follows: (1) All of the abbreviations “TTF” should read “TTN”. (2) The first sentence in the Abstract should read “Density functional theory calculations have been carried out to investigate single-layer phosphorene functionalized with two kinds of organic molecules, i.e., an electrophilic molecule tetracyano-p-quinodimethane (TCNQ) as an electron acceptor and a nucleophilic molecule 1,4,5,8-tetrathianaphthalene (TTN) as an electron donor.” (3) The eighth sentence in the fourth paragraph of the subsection “Introduction” should read “In this paper two kinds of organic molecules are used to dope the single-layer phosphorene: one is electrophilic molecule TCNQ possessing effective electron-withdrawing capabilities with an adiabatic electron affinity (EA) of 2.80 eV; the other is nucleophilic molecule TTN possessing effective electron-donating capabilities with an adiabatic ionization potential (IP) of 6.90 eV according to our calculation.”

Published: September 28, 2015 © 2015 American Chemical Society

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DOI: 10.1021/acs.jpcc.5b09181 J. Phys. Chem. C 2015, 119, 23294−23294