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Title: P-type transparent conducting nickel oxide alloys

Abstract

Disclosed herein is the formation of p-type transparent conducting oxides (TCO) having a structure of Mg.sub.xNi.sub.1-xO or Zn.sub.xNi.sub.1-xO. These structures disrupt the two-dimensional confinement of individual holes (the dominant charge carrier transport mechanism in pure NiO) creating three-dimensional hole transport by providing pathways for hole transfer in directions that are unfavorable in pure NiO. Forming these structures preserves NiO's transparency to visible light since the band gaps do not deviate significantly from that of pure NiO. Furthermore, forming Mg.sub.xNi.sub.1-xO or Zn.sub.xNi.sub.1-xO does not lead to hole trapping on O ions adjacent to Zn and Mg ions. The formation of these alloys will lead to creation of three-dimensional hole transport and improve NiO's conductivity for use as p-type TCO, without adversely affecting the favorable properties of pure NiO.

Inventors:
;
Issue Date:
Research Org.:
Princeton Univ., NJ (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1482829
Patent Number(s):
10079189
Application Number:
15/617,339
Assignee:
THE TRUSTEES OF PRINCETON UNIVERSITY (Princeton, NJ)
Patent Classifications (CPCs):
C - CHEMISTRY C01 - INORGANIC CHEMISTRY C01G - COMPOUNDS CONTAINING METALS NOT COVERED BY SUBCLASSES C01D OR C01F
H - ELECTRICITY H01 - BASIC ELECTRIC ELEMENTS H01G - CAPACITORS
DOE Contract Number:  
SC0002120
Resource Type:
Patent
Resource Relation:
Patent File Date: 2017 Jun 08
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Carter, Emily Ann, and Alidoust, Nima. P-type transparent conducting nickel oxide alloys. United States: N. p., 2018. Web.
Carter, Emily Ann, & Alidoust, Nima. P-type transparent conducting nickel oxide alloys. United States.
Carter, Emily Ann, and Alidoust, Nima. Tue . "P-type transparent conducting nickel oxide alloys". United States. https://www.osti.gov/servlets/purl/1482829.
@article{osti_1482829,
title = {P-type transparent conducting nickel oxide alloys},
author = {Carter, Emily Ann and Alidoust, Nima},
abstractNote = {Disclosed herein is the formation of p-type transparent conducting oxides (TCO) having a structure of Mg.sub.xNi.sub.1-xO or Zn.sub.xNi.sub.1-xO. These structures disrupt the two-dimensional confinement of individual holes (the dominant charge carrier transport mechanism in pure NiO) creating three-dimensional hole transport by providing pathways for hole transfer in directions that are unfavorable in pure NiO. Forming these structures preserves NiO's transparency to visible light since the band gaps do not deviate significantly from that of pure NiO. Furthermore, forming Mg.sub.xNi.sub.1-xO or Zn.sub.xNi.sub.1-xO does not lead to hole trapping on O ions adjacent to Zn and Mg ions. The formation of these alloys will lead to creation of three-dimensional hole transport and improve NiO's conductivity for use as p-type TCO, without adversely affecting the favorable properties of pure NiO.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {9}
}

Works referenced in this record:

Charge transport in metal oxides: A theoretical study of hematite α-Fe2O3
journal, April 2005


Effective ionic radii in oxides and fluorides
journal, May 1969


Generalized Gradient Approximation Made Simple
journal, October 1996


Projector augmented-wave method
journal, December 1994


Dye-sensitized nickel(II)oxide photocathodes for tandem solar cell applications
journal, June 2008


ZnO-Based Dye-Sensitized Solar Cells
journal, April 2012


Electronic properties of random alloys: Special quasirandom structures
journal, November 1990


On the Theory of Oxidation‐Reduction Reactions Involving Electron Transfer. I
journal, May 1956


Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
journal, January 1985


Advances in electronic structure theory
book, January 2005


Quantum mechanical modeling of electronic excitations in metal oxides: Magnesia as a prototype
journal, January 2012


Infrared Absorption and Raman Scattering by Two-Magnon Processes in NiO
journal, October 1971


Identification and design principles of low hole effective mass p-type transparent conducting oxides
journal, August 2013


Density-functional theory and NiO photoemission spectra
journal, December 1993


Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994


Organic devices having a fiber structure
patent-application, January 2008


Direct and Temperature-Modulated Reflectance Spectra of MnO, CoO, and NiO
journal, November 1972


Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide from First Principles: Implications for Solar Energy Conversion
journal, April 2014


Preparation and characterization of nanostructured nickel oxide thin films by spray pyrolysis
journal, August 2012


Bound-Polaron Hopping in NiO
journal, November 1972


Electronic structure of NiO and related 3d-transition-metal compounds
journal, April 1994


Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998


Tandem Solar Cell Using Amorphous Silicon Solar Cell and Organic Solar Cell
patent-application, May 2013


Special quasirandom structures
journal, July 1990


Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
journal, January 1985


High conductivity nickel oxide thin films by a facile sol–gel method
journal, February 2013


Electron transfer reactions in chemistry. Theory and experiment
journal, July 1993


Hole Selective NiO Contact for Efficient Perovskite Solar Cells with Carbon Electrode
journal, March 2015


Hole transport in pure and doped hematite
journal, July 2012


General atomic and molecular electronic structure system
journal, November 1993


Charge-Transfer Processes in Dye-Sensitized NiO Solar Cells
journal, September 2008


Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO
journal, December 2000


Electron Transport in Pure and Doped Hematite
journal, April 2011


Semiconducting p-type MgNiO:Li epitaxial films fabricated by cosputtering method
journal, July 2013

  • Hun Kwon, Yong; Hyun Chun, Sung; Koun Cho, Hyung
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 31, Issue 4
  • https://doi.org/10.1116/1.4804172

Stable solar-driven oxidation of water by semiconducting photoanodes protected by transparent catalytic nickel oxide films
journal, March 2015


Estimates of charge carrier mobility and lifetime in nickel oxide
journal, July 1972


Improved Photon-to-Current Conversion Efficiency with a Nanoporous p-Type NiO Electrode by the Use of a Sensitizer-Acceptor Dyad
journal, February 2008


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


Significant Reduction in NiO Band Gap Upon Formation of Li x Ni 1− x O alloys: Applications To Solar Energy Conversion
journal, November 2013


Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
journal, March 1972


p-Type semiconducting nickel oxide as an efficiency-enhancing anode interfacial layer in polymer bulk-heterojunction solar cells
journal, February 2008


Crystallography and Domain Walls in Antiferromagnetic NiO Crystals
journal, September 1960


Solar Energy Conversion by Dye-Sensitized Photovoltaic Cells
journal, October 2005


Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
journal, October 1982


Solar energy conversion
journal, March 2007


Improved photocurrents for p-type dye-sensitized solar cells using nano-structured nickel(ii) oxide microballs
journal, January 2012


Solar Water Splitting Cells
journal, November 2010


Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991


The electronic structure of h.c.p. Ytterbium
journal, October 1971


Electric-field induced intramolecular electron transfer in spiro .pi.-electron systems and their suitability as molecular electronic devices. A theoretical study
journal, May 1990


Dye-sensitized solar cells
journal, October 2003


Three-dimensional hole transport in nickel oxide by alloying with MgO or ZnO
journal, November 2015


Photoinduced Ultrafast Dynamics of Coumarin 343 Sensitized p-Type-Nanostructured NiO Films
journal, October 2005


Ab initio study of electron and hole transport in pure and doped MnO and MnO:ZnO alloy
journal, January 2013


First-principles assessment of hole transport in pure and Li-doped NiO
journal, January 2015


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


MgNiO-based metal–semiconductor– metal ultraviolet photodetector
journal, April 2009


Transition metal oxide alloys as potential solar energy conversion materials
journal, January 2013


Hole Transport in Nonstoichiometric and Doped Wüstite
journal, August 2012