2017
DOI: 10.1021/acs.jpclett.7b00681
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Are Electron Affinity and Ionization Potential Intrinsic Parameters to Predict the Electron or Hole Acceptor Character of Amorphous Molecular Materials?

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Cited by 48 publications
(29 citation statements)
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“…58 There is a general agreement that materials showing low IP and low AE may act as p-type semiconductors, while systems with high EA and high IP may behave as electron-acceptor compounds. 59 Moreover, it is widely accepted that EA of a semiconductor should be at least 3.0 eV to allow easy electron injection, but lower than 4.0 eV because of the negative charges can react with atmospheric oxidants such as water or oxygen. 35,[60][61][62] However, its stability in ambient conditions could be compromised by other factors such as the crystal packing and film morphology.…”
Section: S Smentioning
confidence: 99%
“…58 There is a general agreement that materials showing low IP and low AE may act as p-type semiconductors, while systems with high EA and high IP may behave as electron-acceptor compounds. 59 Moreover, it is widely accepted that EA of a semiconductor should be at least 3.0 eV to allow easy electron injection, but lower than 4.0 eV because of the negative charges can react with atmospheric oxidants such as water or oxygen. 35,[60][61][62] However, its stability in ambient conditions could be compromised by other factors such as the crystal packing and film morphology.…”
Section: S Smentioning
confidence: 99%
“…It is known that, low ionization potentials (IPs) together with low electron affinities (EAs) are usually the characteristics of hole‐transporting materials whereas high EA together with high IP function as electron‐transporting materials. () We provide adiabatic ionization potential (IP a ), vertical ionization potential (IP v ), adiabatic electron affinity (EA a ), and vertical electron affinity (EA v ) of the studied compounds in the Table . Electron affinities of phenacene compound are reported to be lower than acenes, circumacenes, and rylenes.…”
Section: Resultsmentioning
confidence: 99%
“…9). The ionisation energy was obtained from work function + E VBM [69], where E VBM = − Work function + 0.5 energy gap [70] and Electron affinity = ionisation potential-band gap [71]. Energies of the band edges and vacuum level were used in calculations of electron affinity and ionisation energy of the individual monolayers as well as their corresponding heterostructures.…”
Section: Mechanism Of Charge Transfermentioning
confidence: 99%