Electronic, Magnetic, Optical and Thermal Properties of new Inorganic Materials

Description

This PhD project is experimental-based and will study the electronic, magnetic, optical and thermal properties of new inorganic solids in the search for next-generation technologies. The project will focus on the measurement of these physical properties together with crystal growth, materials synthesis and advanced structural analysis (crystallography). For example, the measurement of materials with new crystal and electronic structures that lead to outstanding properties, such as the lowest thermal conductivity ever reported for an inorganic material [Gibson 2021]. The successful candidate will work closely with a strong team of computational and experimental material chemists, participating in the selection of synthetic targets in a process that uses computational and machine learning methods together with chemical understanding. The student will understand and be able to contribute to the development of artificial intelligence methods that accelerate materials discovery [Vasylenko 2021, Collins 2021].

The position is part of a multi-disciplinary project: “Digital Navigation of Chemical Space for Function” that seeks to develop a new approach to materials design and discovery, exploiting machine learning and symbolic artificial intelligence, demonstrated by the realisation of new functional inorganic materials. The discovery of new inorganic materials is necessary to advance next-generation technologies, such as information storage (new electronic and magnetic structures) and low-energy buildings (optical properties of correlated electronic materials).

The project is based in the recently-opened Materials Innovation Factory (https://www.liverpool.ac.uk/materials-innovation-factory/) at the University of Liverpool. As well as obtaining knowledge and experience in materials synthesis, crystallographic and measurement techniques, the student will develop skills in teamwork and scientific communication, as computational and experimental researchers within the team work closely together. There are extensive opportunities to use synchrotron X-ray and neutron scattering facilities.

Applications are welcomed from students with a 2:1 or higher master’s degree or equivalent in Physics, Chemistry, or Materials Science, particularly those with skills directly relevant to the project outlined above, reflecting its primary focus on physical measurement.

For any enquiries please contact Dr Luke Daniels (). 

To apply, please visit https://www.liverpool.ac.uk/study/postgraduate-research/how-to-apply/ and click on the 'Ready to apply? Apply now' button. Please ensure you quote the following reference on your application: Electronic, Magnetic, Optical and Thermal Properties of new Inorganic Materials (Reference CCPR0031)

 

Availability

Open to students worldwide

Funding information

Funded studentship

The funding for this position is from an EPSRC DTP studentship. The eligibility details of both are below.
EPSRC eligibility
Applications from candidates meeting the eligibility requirements of the EPSRC are welcome –
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The award will pay full tuition fees and a maintenance grant for 3.5 years. The maintenance grant is £15,609 pa for 2021/22, with the possibility of an increase for 2022/23.

Supervisors

References

J. Gamon, MS. Dyer, BB. Duff, A. Vasylenko, LM. Daniels, M. Zanella, MW. Gaultois, F. Blanc, JB. Claridge, and MJ. Rosseinsky, (2021) Li4.3AlS3.3Cl0.7: A Sulfide–Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity, Chem. Mater. 10.1021/acs.chemmater.1c02751
G. Han, A. Vasylenko, AR. Neale, BB. Duff, R. Chen, MS. Dyer, Y. Dang, LM. Daniels, M. Zanella, CM. Robertson, LJ. Kershaw-Cook, A-L. Hansen, M. Knapp, LJ. Hardwick, F. Blanc, JB. Claridge, and MJ. Rosseinsky (2021), Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability, J. Am. Chem. Soc., 143 (43), 18216–18232.
A. Vasylenko, J. Gamon, BB. Duff, VV. Gusev, LM. Daniels, M. Zanella, JF. Shin, PM. Sharp, A. Morscher, R. Chen, AR. Neale, LJ. Hardwick, JB. Claridge, F. Blanc, MW. Gaultois, MS. Dyer, and MJ. Rosseinsky (2021), Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry, Nat. Commun., 12, 5561
QD. Gibson, T. Zhao, LM. Daniels, HC. Walker, R. Daou, S. Hébert, M. Zanella, MS. Dyer, JB. Claridge, B. Slater, MW. Gaultois, F Corà, J. Alaria, MJ. Rosseinsky, (2021) Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch, Science, 10.1126/science.abh1619
CM. Collins, LM. Daniels, Q. Gibson, MW. Gaultois, M. Moran, R. Feetham, MJ. Pitcher, MS. Dyer, C. Delacotte, M. Zanella, CA. Murray, G. Glodan, O. Perez, D. Pelloquin, TD. Manning, J. Alaria, GR. Darling, JB. Claridge, MJ. Rosseinsky, (2021) Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning. Angew. Chem.-Int. Ed. 60, 2–11
HC. Sansom, G. Longo, AD. Wright, LRV. Buizza, S. Mahesh, B. Wenger, M. Zanella, M. Abdi-Jalebi, MJ. Pitcher, MS. Dyer, TD. Manning, RH. Friend, LM. Herz, HJ. Snaith, JB. Claridge, MJ. Rosseinsky, (2021) Highly Absorbing Lead-Free Semiconductor Cu2AgBiI6 for Photovoltaic Applications from the Quaternary CuI-AgI-BiI3 Phase Space. J. Am. Chem. Soc., 143 (10). 3983 - 3992.
J. Gamon, AJ. Perez, LAH. Jones, M. Zanella, LM. Daniels, RE. Morris, CC. Tang, TD. Veal, LJ. Hardwick, MS. Dyer, JB. Claridge and MJ. Rosseinsky, (2020) Na2Fe2OS2, a new earth abundant oxysulphide cathode material for Na-ion batteries. J. Mater. Chem. A., 8, 20553-20569.
QD. Gibson, TD. Manning, M. Zanella, T. Zhao, PJ. Murgatroyd, CM. Robertson, LAH. Jones, F. McBride, R. Raval, F. Cora, B. Slater, JB. Claridge, VR. Dhanak, MS. Dyer, J. Alaria, and MJ. Rosseinsky, (2020) Modular design via multiple anion chemistry of the high mobility van der Waals semiconductor Bi4O4SeCl2. J. Am. Chem. Soc., 142 (02). 847 - 856.
C. Delacotte, GFS. Whitehead, MJ. Pitcher, CM. Robertson, PM. Sharp, MS. Dyer, J. Alaria, JB.
Claridge, GR. Darling, DR. Allan, G. Winter and MJ. Rosseinsky, (2018) Structure determination and crystal chemistry of large repeat mixed-layer hexaferrites. IUCrJ., 5 (6), 681-698.
M. Li, H. Niu, J. Druce, H. Tellez, T. Ishihara, JA. Kilner, H. Gasparyan, MJ. Pitcher, W. Xu, JF. Shin, LM. Daniels, LAH. Jones, VR. Dhanak, D. Hu, M. Zanella, JB. Claridge and MJ. Rosseinsky, (2020) A CO2-Tolerant Perovskite Oxide with High Oxide Ion and Electronic Conductivity. Adv. Mater., 32 (4), 1905200
J. Gamon, BB. Duff, MS. Dyer, C. Collins, LM. Daniels, TW. Surta, PM. Sharp, MW. Gaultois, F. Blanc, JB. Claridge, MJ. Rosseinsky, (2019) Computationally Guided Discovery of the Sulfide Li3AlS3 in the Li-Al-S Phase Field: Structure and Lithium Conductivity. Chem. Mater., 31 (23), 9699-9714.
ZN. Taylor, AJ. Perez, JA. Coca-Clemente, F. Braga, NE. Drewett, MJ. Pitcher, WJ. Thomas, MS. Dyer, C. Collins, M. Zanella, T. Johnson, S. Day, C. Tang, VR. Dhanak, JB. Claridge, LJ. Hardwick, MJ. Rosseinsky, (2019) Stabilization of O-O Bonds by d0 Cations in Li4+xNi1-xWO6 (0 < x < 0.25) Rock Salt Oxides as the Origin of Large Voltage Hysteresis. J. Am. Chem. Soc., 141 (18), 7333-7346
HC. Sansom, GFS. Whitehead, MS. Dyer, M. Zanella, TD. Manning, MJ. Pitcher, TJ. Whittles, VR. Dhanak, J. Alaria, JB. Claridge, MJ. Rosseinsky, (2017) AgBiI4 as a Lead-Free Solar Absorber with Potential Application in Photovoltaics, Chem. Mater., 29 (4), 1538-1549
LM. Daniels, SN. Savvin, MJ. Pitcher, MS. Dyer, JB. Claridge, S. Ling, B. Slater, F. Corà, J. Alaria and MJ. Rosseinsky (2017) Phonon-glass electron-crystal behaviour by A site disorder in n-type thermoelectric oxides, Energy Environ. Sci., 10 (9) 1917-1922.
JF. Shin, W. Xu, M. Zanella, K. Dawson, SN. Savvin, JB. Claridge and MJ. Rosseinsky (2017) Self-assembled dynamic perovskite composite cathodes for intermediate temperature solid oxide fuel cells. Nature Energy, 2(3) 16214