Charge transfer and redistribution at interfaces between metals and 2D materials

Menno Bokdam

Research output: ThesisPhD Thesis - Research UT, graduation UTAcademic

139 Downloads (Pure)

Abstract

Large potential steps are observed at the interfaces between metals and novel 2D materials. They can lower the work function by more than 1 eV, even when the two parts are only weakly interacting. In this thesis the transfer and redistribution of electrons in metal|2D material heterostructures are studied by means of first principles methods and analyzed by phenomenological models. The first part of the thesis covers the charge transfer at metal-organic interfaces. A model based on an integer electron transfer is used to accurately describe the experimentally observed pinning levels. In the second part of the thesis the doping level of graphene in a metal|thininsulating-film|graphene heterostructure under an external electric field is studied. Special attention is paid to the incommensurable interface structure of hexagonal boron-nitride (h-BN) and graphene. It is shown that a small band gap is opened in graphene when the angle between the two lattices is small. Larger angles lead to electron-hole puddles. Lastly, the physical processes responsible for the large potential steps at weakly interacting metal|insulator interfaces are studied. The metal|h-BN interface is used as an archetypal interface. It is shown that Pauli exchangerepulsion is the most important effect to explain the large potential steps, but it is not the only one.
Original languageEnglish
Awarding Institution
  • University of Twente
Supervisors/Advisors
  • Kelly, P.J. , Supervisor
  • Brocks, G.H.L.A., Advisor
Award date15 Nov 2013
Place of PublicationEnschede
Publisher
Print ISBNs978-90-365-1133-9
DOIs
Publication statusPublished - 15 Nov 2013

Fingerprint

charge transfer
theses
graphene
metals
boron nitrides
metal films
integers
electron transfer
insulators
electric fields
electrons

Keywords

  • IR-87720
  • METIS-298430

Cite this

Bokdam, Menno. / Charge transfer and redistribution at interfaces between metals and 2D materials. Enschede : Gildeprint Drukkerijen, 2013. 141 p.
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title = "Charge transfer and redistribution at interfaces between metals and 2D materials",
abstract = "Large potential steps are observed at the interfaces between metals and novel 2D materials. They can lower the work function by more than 1 eV, even when the two parts are only weakly interacting. In this thesis the transfer and redistribution of electrons in metal|2D material heterostructures are studied by means of first principles methods and analyzed by phenomenological models. The first part of the thesis covers the charge transfer at metal-organic interfaces. A model based on an integer electron transfer is used to accurately describe the experimentally observed pinning levels. In the second part of the thesis the doping level of graphene in a metal|thininsulating-film|graphene heterostructure under an external electric field is studied. Special attention is paid to the incommensurable interface structure of hexagonal boron-nitride (h-BN) and graphene. It is shown that a small band gap is opened in graphene when the angle between the two lattices is small. Larger angles lead to electron-hole puddles. Lastly, the physical processes responsible for the large potential steps at weakly interacting metal|insulator interfaces are studied. The metal|h-BN interface is used as an archetypal interface. It is shown that Pauli exchangerepulsion is the most important effect to explain the large potential steps, but it is not the only one.",
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language = "English",
isbn = "978-90-365-1133-9",
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Charge transfer and redistribution at interfaces between metals and 2D materials. / Bokdam, Menno.

Enschede : Gildeprint Drukkerijen, 2013. 141 p.

Research output: ThesisPhD Thesis - Research UT, graduation UTAcademic

TY - THES

T1 - Charge transfer and redistribution at interfaces between metals and 2D materials

AU - Bokdam, Menno

PY - 2013/11/15

Y1 - 2013/11/15

N2 - Large potential steps are observed at the interfaces between metals and novel 2D materials. They can lower the work function by more than 1 eV, even when the two parts are only weakly interacting. In this thesis the transfer and redistribution of electrons in metal|2D material heterostructures are studied by means of first principles methods and analyzed by phenomenological models. The first part of the thesis covers the charge transfer at metal-organic interfaces. A model based on an integer electron transfer is used to accurately describe the experimentally observed pinning levels. In the second part of the thesis the doping level of graphene in a metal|thininsulating-film|graphene heterostructure under an external electric field is studied. Special attention is paid to the incommensurable interface structure of hexagonal boron-nitride (h-BN) and graphene. It is shown that a small band gap is opened in graphene when the angle between the two lattices is small. Larger angles lead to electron-hole puddles. Lastly, the physical processes responsible for the large potential steps at weakly interacting metal|insulator interfaces are studied. The metal|h-BN interface is used as an archetypal interface. It is shown that Pauli exchangerepulsion is the most important effect to explain the large potential steps, but it is not the only one.

AB - Large potential steps are observed at the interfaces between metals and novel 2D materials. They can lower the work function by more than 1 eV, even when the two parts are only weakly interacting. In this thesis the transfer and redistribution of electrons in metal|2D material heterostructures are studied by means of first principles methods and analyzed by phenomenological models. The first part of the thesis covers the charge transfer at metal-organic interfaces. A model based on an integer electron transfer is used to accurately describe the experimentally observed pinning levels. In the second part of the thesis the doping level of graphene in a metal|thininsulating-film|graphene heterostructure under an external electric field is studied. Special attention is paid to the incommensurable interface structure of hexagonal boron-nitride (h-BN) and graphene. It is shown that a small band gap is opened in graphene when the angle between the two lattices is small. Larger angles lead to electron-hole puddles. Lastly, the physical processes responsible for the large potential steps at weakly interacting metal|insulator interfaces are studied. The metal|h-BN interface is used as an archetypal interface. It is shown that Pauli exchangerepulsion is the most important effect to explain the large potential steps, but it is not the only one.

KW - IR-87720

KW - METIS-298430

U2 - 10.3990/1.9789036511339

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M3 - PhD Thesis - Research UT, graduation UT

SN - 978-90-365-1133-9

PB - Gildeprint Drukkerijen

CY - Enschede

ER -