skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Electrostatic screening mediated by interfacial charge transfer in molecular assemblies on semiconductor substrates


Not provided.

; ;
Publication Date:
Research Org.:
Michigan State Univ., East Lansing, MI (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
DOE Contract Number:  
Resource Type:
Journal Article
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 3; Journal ID: ISSN 2469-9950
American Physical Society (APS)
Country of Publication:
United States
Materials Science; Physics

Citation Formats

Tan, A., Wagner, S. R., and Zhang, P. P. Electrostatic screening mediated by interfacial charge transfer in molecular assemblies on semiconductor substrates. United States: N. p., 2017. Web. doi:10.1103/physrevb.96.035313.
Tan, A., Wagner, S. R., & Zhang, P. P. Electrostatic screening mediated by interfacial charge transfer in molecular assemblies on semiconductor substrates. United States. doi:10.1103/physrevb.96.035313.
Tan, A., Wagner, S. R., and Zhang, P. P. Sat . "Electrostatic screening mediated by interfacial charge transfer in molecular assemblies on semiconductor substrates". United States. doi:10.1103/physrevb.96.035313.
title = {Electrostatic screening mediated by interfacial charge transfer in molecular assemblies on semiconductor substrates},
author = {Tan, A. and Wagner, S. R. and Zhang, P. P.},
abstractNote = {Not provided.},
doi = {10.1103/physrevb.96.035313},
journal = {Physical Review B},
issn = {2469-9950},
number = 3,
volume = 96,
place = {United States},
year = {2017},
month = {7}

Works referenced in this record:

Energetics of metal–organic interfaces: New experiments and assessment of the field
journal, March 2009

  • Hwang, Jaehyung; Wan, Alan; Kahn, Antoine
  • Materials Science and Engineering: R: Reports, Vol. 64, Issue 1-2
  • DOI: 10.1016/j.mser.2008.12.001

Energetics of molecular interfaces
journal, July 2005

Energy-Level Alignment at Organic/Metal and Organic/Organic Interfaces
journal, April 2009

  • Braun, Slawomir; Salaneck, William R.; Fahlman, Mats
  • Advanced Materials, Vol. 21, Issue 14-15, p. 1450-1472
  • DOI: 10.1002/adma.200802893

Energy level alignment regimes at hybrid organic–organic and inorganic–organic interfaces
journal, February 2007

Kelvin probe study of band bending at organic semiconductor/metal interfaces: examination of Fermi level alignment
journal, May 2004

Band Bending in Conjugated Polymer Layers
journal, May 2011

The role of gap states in the energy level alignment at the organic–organic heterojunction interfaces
journal, January 2012

  • Zhong, Shu; Zhong, Jian Qiang; Mao, Hong Ying
  • Physical Chemistry Chemical Physics, Vol. 14, Issue 41
  • DOI: 10.1039/c2cp41107e

Organic semiconductor density of states controls the energy level alignment at electrode interfaces
journal, June 2014

  • Oehzelt, Martin; Koch, Norbert; Heimel, Georg
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5174

Quantum-Chemical Characterization of the Origin of Dipole Formation at Molecular Organic/Organic Interfaces
journal, February 2009

  • Avilov, Igor; Geskin, Victor; Cornil, Jérôme
  • Advanced Functional Materials, Vol. 19, Issue 4
  • DOI: 10.1002/adfm.200800632

On the Interface Dipole at the Pentacene−Fullerene Heterojunction: A Theoretical Study
journal, February 2010

  • Linares, Mathieu; Beljonne, David; Cornil, Jérôme
  • The Journal of Physical Chemistry C, Vol. 114, Issue 7
  • DOI: 10.1021/jp910005g

Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces
journal, November 2006

Electronic Structure and Geminate Pair Energetics at Organic–Organic Interfaces: The Case of Pentacene/C 60 Heterojunctions
journal, December 2009

  • Verlaak, Stijn; Beljonne, David; Cheyns, David
  • Advanced Functional Materials, Vol. 19, Issue 23
  • DOI: 10.1002/adfm.200901233

Molecular Insight Into the Energy Levels at the Organic Donor/Acceptor Interface: A Quantum Mechanics/Molecular Mechanics Study
journal, July 2011

  • Yost, Shane R.; Wang, Lee-Ping; Van Voorhis, Troy
  • The Journal of Physical Chemistry C, Vol. 115, Issue 29
  • DOI: 10.1021/jp203387m

Spectroscopy of C 60 single molecules: the role of screening on energy level alignment
journal, April 2008

  • Fernández Torrente, Isabel; Franke, Katharina J.; Ignacio Pascual, Jose
  • Journal of Physics: Condensed Matter, Vol. 20, Issue 18
  • DOI: 10.1088/0953-8984/20/18/184001

Electronic Energy Levels of Weakly Coupled Nanostructures: C 60 -Metal Interfaces
journal, July 2008

Spin coupling and relaxation inside molecule–metal contacts
journal, September 2011

  • Mugarza, Aitor; Krull, Cornelius; Robles, Roberto
  • Nature Communications, Vol. 2, Issue 1
  • DOI: 10.1038/ncomms1497

Quantitatively identical orientation-dependent ionization energy and electron affinity of diindenoperylene
journal, December 2013

  • Han, W. N.; Yonezawa, K.; Makino, R.
  • Applied Physics Letters, Vol. 103, Issue 25
  • DOI: 10.1063/1.4850531

Design of Organic Semiconductors from Molecular Electrostatics
journal, February 2011

  • Heimel, Georg; Salzmann, Ingo; Duhm, Steffen
  • Chemistry of Materials, Vol. 23, Issue 3
  • DOI: 10.1021/cm1021257

Orientation-dependent ionization energies and interface dipoles in ordered molecular assemblies
journal, February 2008

  • Duhm, Steffen; Heimel, Georg; Salzmann, Ingo
  • Nature Materials, Vol. 7, Issue 4
  • DOI: 10.1038/nmat2119

Noncovalent Bicomponent Self-Assemblies on a Silicon Surface
journal, July 2012

  • Baris, Bulent; Jeannoutot, Judicaël; Luzet, Vincent
  • ACS Nano, Vol. 6, Issue 8
  • DOI: 10.1021/nn301827e

Complete Supramolecular Self-Assembled Adlayer on a Silicon Surface at Room Temperature
journal, May 2008

  • Makoudi, Younes; Palmino, Frank; Arab, Madjid
  • Journal of the American Chemical Society, Vol. 130, Issue 21
  • DOI: 10.1021/ja8001259

Atomic Scale Modeling of Two-Dimensional Molecular Self-Assembly on a Passivated Si Surface
journal, June 2014

  • Copie, G.; Makoudi, Y.; Krzeminski, C.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 24
  • DOI: 10.1021/jp501955v

Robust and Open Tailored Supramolecular Networks Controlled by the Template Effect of a Silicon Surface
journal, April 2011

  • Baris, Bulent; Luzet, Vincent; Duverger, Eric
  • Angewandte Chemie International Edition, Vol. 50, Issue 18
  • DOI: 10.1002/anie.201100332

Anisotropic Crystalline Organic Step-Flow Growth on Deactivated Si Surfaces
journal, February 2013

Self-assembly of F16ZnPc thin films and F16ZnPc-ZnPc heterostructures on deactivated Si surfaces studied by scanning tunneling microscopy
journal, November 2016

  • Tan, Andrew; Wagner, Sean; Zhang, Pengpeng
  • The Journal of Chemical Physics, Vol. 146, Issue 5
  • DOI: 10.1063/1.4967262

Growth of Metal Phthalocyanine on Deactivated Semiconducting Surfaces Steered by Selective Orbital Coupling
journal, August 2015

Formation of Highly Ordered Organic Molecular Thin Films on Deactivated Si Surfaces Studied by Scanning Tunneling Microscopy and Low Energy Electron Diffraction
journal, January 2014

  • Wagner, Sean R.; Zhang, Pengpeng
  • The Journal of Physical Chemistry C, Vol. 118, Issue 4
  • DOI: 10.1021/jp4099599

Nucleation and evolution of zinc phthalocyanine thin films on the deactivated Si(111)-B 3 × 3 R30° surface
journal, December 2014

Identification of Surface Defects and Subsurface Dopants in a Delta-Doped System Using Simultaneous nc-AFM/STM and DFT
journal, July 2014

  • Spadafora, E. J.; Berger, J.; Mutombo, P.
  • The Journal of Physical Chemistry C, Vol. 118, Issue 29
  • DOI: 10.1021/jp503410j

Adsorption of boron on Si(111): Its effect on surface electronic states and reconstruction
journal, September 1989

Electron hopping at the Si(111):B- 3 surface: Insight from local impurity spectroscopy
journal, February 2013

Electronic structure of the Si ( 111 ) 3 × 3 R 30 ° B surface
journal, August 2002

Electronic structure of Si(111)-B(√3 × √3 ) R 30° studied by Si 2 p and B 1 s core-level photoelectron spectroscopy
journal, April 1990

Electronic states due to surface doping: Si(111)√3×√3B
journal, January 1990

Theory and Application for the Scanning Tunneling Microscope
journal, June 1983

Theory of the scanning tunneling microscope
journal, January 1985

Exploring the F 16 CoPc/Ag(110) Interface Using Scanning Tunneling Microscopy and Spectroscopy. 2. Adsorption-Induced Charge Transfer Effect
journal, November 2010

  • Toader, Marius; Gopakumar, Thiruvancheril G.; Shukrynau, Pavel
  • The Journal of Physical Chemistry C, Vol. 114, Issue 49
  • DOI: 10.1021/jp1078295

Mapping the first electronic resonances of a Cu phthalocyanine STM tunnel junction
journal, August 2012

Symmetry reduction of metal phthalocyanines on metals
journal, December 2008

Molecular Symmetry Governs Surface Diffusion
journal, October 2011

The effect of position‐dependent dielectric constant on the electric field and charge density in a pn junction
journal, November 1981

  • Andrews, M. Heather; Marshak, Alan H.; Shrivastava, Ritu
  • Journal of Applied Physics, Vol. 52, Issue 11
  • DOI: 10.1063/1.328632

Dependence of static dielectric constant of silicon on resistivity at room temperature
journal, January 2004

  • Ristic, Stojan; Prijic, Aneta; Prijic, Zoran
  • Serbian Journal of Electrical Engineering, Vol. 1, Issue 2
  • DOI: 10.2298/SJEE0402237R

Observation of bulk defects by scanning tunneling microscopy and spectroscopy: Arsenic antisite defects in GaAs
journal, August 1993

Direct Evidence for Shallow Acceptor States with Nonspherical Symmetry in GaAs
journal, January 2005

Atom-resolved three-dimensional mapping of boron dopants in Si(100) by scanning tunneling microscopy
journal, January 2001

  • Liu, Lequn; Yu, Jixin; Lyding, J. W.
  • Applied Physics Letters, Vol. 78, Issue 3
  • DOI: 10.1063/1.1339260

Theory of the screened Coulomb field generated by impurity ions in semiconductors
journal, April 2006

Electronic and magnetic properties of molecule-metal interfaces: Transition-metal phthalocyanines adsorbed on Ag(100)
journal, April 2012

Integer Charge Transfer and Hybridization at an Organic Semiconductor/Conductive Oxide Interface
journal, February 2015

  • Gruenewald, Marco; Schirra, Laura K.; Winget, Paul
  • The Journal of Physical Chemistry C, Vol. 119, Issue 9
  • DOI: 10.1021/jp512153b

Electronic structure of 1ML NTCDA/Ag(111) studied by photoemission spectroscopy
journal, September 2007

Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE
journal, April 2015

Site- and orbital-dependent charge donation and spin manipulation in electron-doped metal phthalocyanines
journal, January 2013

  • Krull, Cornelius; Robles, Roberto; Mugarza, Aitor
  • Nature Materials, Vol. 12, Issue 4
  • DOI: 10.1038/nmat3547

Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers
journal, May 2017

Pronounced polarization-induced energy level shifts at boundaries of organic semiconductor nanostructures
journal, October 2015

  • Cochrane, K. A.; Schiffrin, A.; Roussy, T. S.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms9312

Orbital Mediated Tunneling in Vanadyl Phthalocyanine Observed in both Tunnel Diode and STM Environments
journal, March 2000

  • Hipps, K. W.; Barlow, Dan E.; Mazur, Ursula
  • The Journal of Physical Chemistry B, Vol. 104, Issue 11
  • DOI: 10.1021/jp994248q

Tunneling Voltage Polarity Dependent Submolecular Contrast of Naphthalocyanine on Graphite. A STM Study of Close-Packed Monolayers under Ultrahigh-Vacuum Conditions
journal, February 2004

  • Lackinger, Markus; Müller, Thomas; Gopakumar, T. G.
  • The Journal of Physical Chemistry B, Vol. 108, Issue 7
  • DOI: 10.1021/jp036698v

Band renormalization of a polymer physisorbed on graphene investigated by many-body perturbation theory
journal, August 2012

Image Plane for Surface Potential
journal, June 1986

An empirical method to calculate average molecular polarizabilities from the dependence of effective atomic polarizabilities on net atomic charge
journal, March 1993

  • No, Kyoung Tai; Cho, Kwang Hwi; Jhon, Mu Shik
  • Journal of the American Chemical Society, Vol. 115, Issue 5
  • DOI: 10.1021/ja00058a056

Properties of copper (fluoro-)phthalocyanine layers deposited on epitaxial graphene
journal, May 2011

  • Ren, Jun; Meng, Sheng; Wang, Yi-Lin
  • The Journal of Chemical Physics, Vol. 134, Issue 19
  • DOI: 10.1063/1.3590277

Thickness dependence of the LUMO position for phthalocyanines on hydrogen passivated silicon (111)
journal, July 2004

Polarizability of Molecular Orbitals
journal, July 1994

  • Smith, Douglas A.; Mura, Michael E.
  • The Journal of Physical Chemistry, Vol. 98, Issue 28
  • DOI: 10.1021/j100079a003

Comprehensive understanding of size-, shape-, and composition-dependent polarizabilities of Si m C n ( m , n = 1-4) clusters
journal, March 2012

  • Lan, You-Zhao; Kang, Hong-Lan; Niu, Tao
  • International Journal of Quantum Chemistry, Vol. 113, Issue 7
  • DOI: 10.1002/qua.24041

Heterointerface Screening Effects between Organic Monolayers and Monolayer Transition Metal Dichalcogenides
journal, January 2016

Reliable Energy Level Alignment at Physisorbed Molecule–Metal Interfaces from Density Functional Theory
journal, March 2015

  • Egger, David A.; Liu, Zhen-Fei; Neaton, Jeffrey B.
  • Nano Letters, Vol. 15, Issue 4
  • DOI: 10.1021/nl504863r