Resonant doping for high mobility transparent conductors: The case of Mo-doped In2O3

Jack E.N. Swallow; Benjamin A.D. Williamson; Sanjayan Sathasivam; Max Birkett; Thomas J. Featherstone; Philip A.E. Murgatroyd; Holly J. Edwards; Zachary W. Lebens-Higgins; David A. Duncan; Mark Farnworth; Paul Warren; Nianhua Peng; Tien Lin Lee; Louis F.J. Piper; Anna Regoutz; Claire J. Carmalt; Ivan P. Parkin; Vin R. Dhanak; David O. Scanlon; Tim D. Veal

doi:10.1039/c9mh01014a

Resonant doping for high mobility transparent conductors: The case of Mo-doped In₂O₃

Jack E.N. Swallow, Benjamin A.D. Williamson, Sanjayan Sathasivam, Max Birkett, Thomas J. Featherstone, Philip A.E. Murgatroyd, Holly J. Edwards, Zachary W. Lebens-Higgins, David A. Duncan, Mark Farnworth, Paul Warren, Nianhua Peng, Tien Lin Lee, Louis F.J. Piper, Anna Regoutz, Claire J. Carmalt, Ivan P. Parkin, Vin R. Dhanak, David O. Scanlon, Tim D. Veal^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

Transparent conductors are a vital component of smartphones, touch-enabled displays, low emissivity windows and thin film photovoltaics. Tin-doped In₂O₃ (ITO) dominates the transparent conductive films market, accounting for the majority of the current multi-billion dollar annual global sales. Due to the high cost of indium, however, alternatives to ITO have been sought but have inferior properties. Here we demonstrate that molybdenum-doped In₂O₃ (IMO) has higher mobility and therefore higher conductivity than ITO with the same carrier density. This also results in IMO having increased infrared transparency compared to ITO of the same conductivity. These properties enable current performance to be achieved using thinner films, reducing the amount of indium required and raw material costs by half. The enhanced doping behavior arises from Mo 4d donor states being resonant high in the conduction band and negligibly perturbing the host conduction band minimum, in contrast to the adverse perturbation caused by Sn 5s dopant states. This new understanding will enable better and cheaper TCOs based on both In₂O₃ and other metal oxides.

Original language	English
Pages (from-to)	236-243
Number of pages	8
Journal	Materials Horizons
Volume	7
Issue number	1
DOIs	https://doi.org/10.1039/c9mh01014a
Publication status	Published - Jan 2020

Bibliographical note

Funding Information:
This work was supported by the Engineering and Physical Sciences Research Council (EPSRC) (Grant No. EP/N01572X/1 and EP/N015800/1) and the Leverhulme Research Centre for Functional Materials Design. J. E. N. S. and T. J. F. acknowledge studentship support from the EPSRC Centre for Doctoral Training in New and Sustainable Photovoltaics (Grant No. EP/L01551X/1). The XRD facility used was supported by EPSRC (Grant No. EP/P001513/1). BADW and DOS acknowledge the UK Materials and Molecular Modelling Hub for computational resources, which is partially funded by EPSRC (EP/P020194/1). This work made use of the ARCHER UK National Supercomputing Service (http://www. archer.ac.uk) via the authors’ membership of the UK’s HEC Materials Chemistry Consortium, which was funded by EPSRC (EP/L000202/1). The UCL Legion and Grace HPC Facilities (Legion@UCL and Grace @UCL) were also used in the completion of this work. A. R. acknowledges support her Imperial College Research Fellowship. S. S. thanks Dr Davinder S. Bhachu and Dr Chris S. Blackman for useful discussions. The authors thank Diamond Light source for providing beam time and facilities under SI18428-1 and David McCue for technical assistance. D. O. S. and T. D. V. acknowledge membership of the Materials Design Network. This research used beamline 23-ID of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. The Binghamton work is supported by the Air Force Office of Scientific Research under award number FA9550-18-1-0024.

Publisher Copyright:
© 2019 The Royal Society of Chemistry.

ASJC Scopus subject areas

General Materials Science
Mechanics of Materials
Process Chemistry and Technology
Electrical and Electronic Engineering

Access to Document

10.1039/c9mh01014a

Cite this

Swallow, J. E. N., Williamson, B. A. D., Sathasivam, S., Birkett, M., Featherstone, T. J., Murgatroyd, P. A. E., Edwards, H. J., Lebens-Higgins, Z. W., Duncan, D. A., Farnworth, M., Warren, P., Peng, N., Lee, T. L., Piper, L. F. J., Regoutz, A., Carmalt, C. J., Parkin, I. P., Dhanak, V. R., Scanlon, D. O., & Veal, T. D. (2020). Resonant doping for high mobility transparent conductors: The case of Mo-doped In₂O₃. Materials Horizons, 7(1), 236-243. https://doi.org/10.1039/c9mh01014a

@article{f20840be06774834a5e1fabf5e1e5298,

title = "Resonant doping for high mobility transparent conductors: The case of Mo-doped In2O3",

abstract = "Transparent conductors are a vital component of smartphones, touch-enabled displays, low emissivity windows and thin film photovoltaics. Tin-doped In2O3 (ITO) dominates the transparent conductive films market, accounting for the majority of the current multi-billion dollar annual global sales. Due to the high cost of indium, however, alternatives to ITO have been sought but have inferior properties. Here we demonstrate that molybdenum-doped In2O3 (IMO) has higher mobility and therefore higher conductivity than ITO with the same carrier density. This also results in IMO having increased infrared transparency compared to ITO of the same conductivity. These properties enable current performance to be achieved using thinner films, reducing the amount of indium required and raw material costs by half. The enhanced doping behavior arises from Mo 4d donor states being resonant high in the conduction band and negligibly perturbing the host conduction band minimum, in contrast to the adverse perturbation caused by Sn 5s dopant states. This new understanding will enable better and cheaper TCOs based on both In2O3 and other metal oxides.",

author = "Swallow, {Jack E.N.} and Williamson, {Benjamin A.D.} and Sanjayan Sathasivam and Max Birkett and Featherstone, {Thomas J.} and Murgatroyd, {Philip A.E.} and Edwards, {Holly J.} and Lebens-Higgins, {Zachary W.} and Duncan, {David A.} and Mark Farnworth and Paul Warren and Nianhua Peng and Lee, {Tien Lin} and Piper, {Louis F.J.} and Anna Regoutz and Carmalt, {Claire J.} and Parkin, {Ivan P.} and Dhanak, {Vin R.} and Scanlon, {David O.} and Veal, {Tim D.}",

note = "Funding Information: This work was supported by the Engineering and Physical Sciences Research Council (EPSRC) (Grant No. EP/N01572X/1 and EP/N015800/1) and the Leverhulme Research Centre for Functional Materials Design. J. E. N. S. and T. J. F. acknowledge studentship support from the EPSRC Centre for Doctoral Training in New and Sustainable Photovoltaics (Grant No. EP/L01551X/1). The XRD facility used was supported by EPSRC (Grant No. EP/P001513/1). BADW and DOS acknowledge the UK Materials and Molecular Modelling Hub for computational resources, which is partially funded by EPSRC (EP/P020194/1). This work made use of the ARCHER UK National Supercomputing Service (http://www. archer.ac.uk) via the authors{\textquoteright} membership of the UK{\textquoteright}s HEC Materials Chemistry Consortium, which was funded by EPSRC (EP/L000202/1). The UCL Legion and Grace HPC Facilities (Legion@UCL and Grace @UCL) were also used in the completion of this work. A. R. acknowledges support her Imperial College Research Fellowship. S. S. thanks Dr Davinder S. Bhachu and Dr Chris S. Blackman for useful discussions. The authors thank Diamond Light source for providing beam time and facilities under SI18428-1 and David McCue for technical assistance. D. O. S. and T. D. V. acknowledge membership of the Materials Design Network. This research used beamline 23-ID of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. The Binghamton work is supported by the Air Force Office of Scientific Research under award number FA9550-18-1-0024. Publisher Copyright: {\textcopyright} 2019 The Royal Society of Chemistry.",

year = "2020",

month = jan,

doi = "10.1039/c9mh01014a",

language = "English",

volume = "7",

pages = "236--243",

journal = "Materials Horizons",

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Swallow, JEN, Williamson, BAD, Sathasivam, S, Birkett, M, Featherstone, TJ, Murgatroyd, PAE, Edwards, HJ, Lebens-Higgins, ZW, Duncan, DA, Farnworth, M, Warren, P, Peng, N, Lee, TL, Piper, LFJ, Regoutz, A, Carmalt, CJ, Parkin, IP, Dhanak, VR, Scanlon, DO & Veal, TD 2020, 'Resonant doping for high mobility transparent conductors: The case of Mo-doped In₂O₃', Materials Horizons, vol. 7, no. 1, pp. 236-243. https://doi.org/10.1039/c9mh01014a

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T1 - Resonant doping for high mobility transparent conductors

T2 - The case of Mo-doped In2O3

AU - Swallow, Jack E.N.

AU - Williamson, Benjamin A.D.

AU - Sathasivam, Sanjayan

AU - Birkett, Max

AU - Featherstone, Thomas J.

AU - Murgatroyd, Philip A.E.

AU - Edwards, Holly J.

AU - Lebens-Higgins, Zachary W.

AU - Duncan, David A.

AU - Farnworth, Mark

AU - Warren, Paul

AU - Peng, Nianhua

AU - Lee, Tien Lin

AU - Piper, Louis F.J.

AU - Regoutz, Anna

AU - Carmalt, Claire J.

AU - Parkin, Ivan P.

AU - Dhanak, Vin R.

AU - Scanlon, David O.

AU - Veal, Tim D.

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N2 - Transparent conductors are a vital component of smartphones, touch-enabled displays, low emissivity windows and thin film photovoltaics. Tin-doped In2O3 (ITO) dominates the transparent conductive films market, accounting for the majority of the current multi-billion dollar annual global sales. Due to the high cost of indium, however, alternatives to ITO have been sought but have inferior properties. Here we demonstrate that molybdenum-doped In2O3 (IMO) has higher mobility and therefore higher conductivity than ITO with the same carrier density. This also results in IMO having increased infrared transparency compared to ITO of the same conductivity. These properties enable current performance to be achieved using thinner films, reducing the amount of indium required and raw material costs by half. The enhanced doping behavior arises from Mo 4d donor states being resonant high in the conduction band and negligibly perturbing the host conduction band minimum, in contrast to the adverse perturbation caused by Sn 5s dopant states. This new understanding will enable better and cheaper TCOs based on both In2O3 and other metal oxides.

AB - Transparent conductors are a vital component of smartphones, touch-enabled displays, low emissivity windows and thin film photovoltaics. Tin-doped In2O3 (ITO) dominates the transparent conductive films market, accounting for the majority of the current multi-billion dollar annual global sales. Due to the high cost of indium, however, alternatives to ITO have been sought but have inferior properties. Here we demonstrate that molybdenum-doped In2O3 (IMO) has higher mobility and therefore higher conductivity than ITO with the same carrier density. This also results in IMO having increased infrared transparency compared to ITO of the same conductivity. These properties enable current performance to be achieved using thinner films, reducing the amount of indium required and raw material costs by half. The enhanced doping behavior arises from Mo 4d donor states being resonant high in the conduction band and negligibly perturbing the host conduction band minimum, in contrast to the adverse perturbation caused by Sn 5s dopant states. This new understanding will enable better and cheaper TCOs based on both In2O3 and other metal oxides.

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