Dr
Nik
Reeves-McLaren
(he/him)
BSc Hons, MEd, PhD, SFHEA, MRSC
School of Chemical, Materials and Biological Engineering
Senior Lecturer in Energy Materials
Faculty Director of Postgraduate Research
PGT Tutor
Raman Facility Director
+44 114 222 6013
Full contact details
Sir Robert Hadfield Building
- Profile
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I'm a Senior Lecturer in Energy Materials in the School of Chemical, Materials and Biological Engineering, where I also serve as Faculty Postgraduate Research Lead and Head of the Engineering Doctoral School. My route into materials science started with a BSc in Chemistry with New Materials Technology at Aberdeen, followed by a PhD here at Sheffield on cathode and anode materials for rechargeable lithium-ion batteries.
Most of my research sits at the intersection of crystallography and battery chemistry. I use X-ray and neutron diffraction, much of it collected operando at Diamond Light Source and ISIS, to work out how the atomic structure of electrode materials changes as a battery charges, discharges and ages. Sodium-ion cathodes are the current focus, alongside high-voltage lithium spinels and, increasingly, questions about the trustworthiness of structural data itself as AI tools become part of how that data gets generated and interpreted.
I lead the Raman Small Research Facility and co-lead the Sheffield Tomography Centre, having previously managed the department's X-ray diffraction facility for fifteen years. I wrote Inside Energy Storage Materials (AIP Publishing, 2022) and I'm a member of the Royal Society of Chemistry and a Senior Fellow of the Higher Education Academy.
- Qualifications
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I hold a BSc (Hons) in Chemistry with New Materials Technology from the University of Aberdeen (1999) and a PhD from the University of Sheffield, on novel cathode and anode materials for rechargeable lithium-ion batteries (2003). I also have an MEd in Teaching and Learning in Higher Education (2019).
- Research interests
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I research the materials inside batteries, particularly for sodium-ion batteries, a cheaper and more sustainable alternative to the lithium-ion batteries in most phones and electric vehicles. Using X-ray and neutron beams at national facilities, I watch how the atomic structure of these materials rearranges as a battery charges and discharges, and how that rearrangement eventually causes it to wear out. I'm also increasingly interested in a different kind of question: as artificial intelligence tools become part of how scientific data is generated and checked, how do we know the results are actually reliable? I build tools to test that.
Key research interests:- Sodium-ion battery cathode materials, particularly P2/P3-type layered transition metal oxides
- Crystallography and Rietveld refinement of battery electrode materials
- Operando and in situ characterisation: synchrotron X-ray diffraction, neutron diffraction, XANES, muon spectroscopy
- High-voltage lithium-ion spinel oxides and their use in structural, load-bearing batteries
- Data integrity and structural credibility in AI-driven materials discovery
- Sustainable, lower-temperature synthesis routes for battery materials
- Computational tool development for materials characterisation and data validation
- Publications
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Books
- Inside Energy Storage Materials. AIP Publishing LLCMelville, New York.
Journal articles
- A century of structures: historical fidelity and computational fitness in the Inorganic Crystal Structure Database (ICSD). Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 82(5), 462-470. View this article in WRRO
- The structure of spinels: a quantitative assessment of the AB2X4 family. Journal of the American Ceramic Society, 109(8). View this article in WRRO
- Raw Data as the Verification Layer: Why AI-Driven Materials Discovery Needs Experimental Infrastructure. ACS Omega, 11(26), 38263-38266.
- The role and fate of magnesium oxide in Portland cement clinker: mineralogy and thermodynamics. Cement and Concrete Research, 204, 108187-108187.
- Experimental evaluation of an intermittency correlation for Reynolds-averaged Navier–Stokes hypersonic boundary layer transition modeling. Physics of Fluids, 38(4).
- Crystal structure and lithium-ion diffusion mechanism in the inverse spinel solid solution series, Li2+xNi2-2xCrxV2O8 (0 ≤ x ≤ 1). Physical Chemistry Chemical Physics. View this article in WRRO
- Secondary electron hyperspectral imaging of carbons: new insights and good practice guide. Advanced Science. View this article in WRRO
- A comparative study of the effect of synthesis method on the formation of P2- and P3-Na0.67Mn0.9Mg0.1O2 cathodes. Materials Research Express, 10(7). View this article in WRRO
- In situ or ex situ synthesis for electrochemical detection of hydrogen peroxide—an evaluation of Co2SnO4/RGO nanohybrids. Micromachines, 14(5). View this article in WRRO
- Xanthan gum as a water-based binder for P3-Na2/3Ni1/3Mn2/3O2. Frontiers in Energy Research, 10. View this article in WRRO
- Uncharted waters: the unintended impacts of residual chlorine on water quality and biofilms. npj Biofilms and Microbiomes, 6. View this article in WRRO
- Phase distribution, composition, and disorder in Y2(Hf,Sn)2O7 ceramics: insights from solid-state NMR spectroscopy and first-principles calculations. The Journal of Physical Chemistry C, 124(31), 17073-17084.
- A high‐performance primary nanosheet heterojunction cathode composed of Na0.44MnO2 tunnels and layered Na2Mn3O7 for Na‐ion batteries. ChemSusChem, 13(7), 1793-1799.
- Co2TiO4/reduced graphene oxide nanohybrids for electrochemical sensing applications. Nanomaterials, 9(11).
- Evaluating lithium diffusion mechanisms in the complex spinel Li2NiGe3O8. Physical Chemistry Chemical Physics, 21(41), 23111-23118.
- Synthesis, structure and dielectric properties of a new family of phases, ABC3O11 : A = La, Pr, Nd, Sm, Gd; B = Zr, Hf; C = Ta, Nb. Journal of the Australian Ceramic Society, 55(2), 305-314.
- Low‐temperature crystallization of La0.15Sr0.775TiO3 using ionic liquids. Journal of the American Ceramic Society, 101(10), 4468-4471. View this article in WRRO
- Biotemplating: A Sustainable Synthetic Methodology for Na-ion Battery Materials. Journal of Materials Chemistry A, 6(13), 5346-5355. View this article in WRRO
- Mechanism of Hydrogen-Bonded Complex Formation between Ibuprofen and Nanocrystalline Hydroxyapatite.. Langmuir, 33(12), 2965-2976. View this article in WRRO
- Spinel–rock salt transformation in LiCoMnO4−δ. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 472(2185). View this article in WRRO
- Synthesis and characterisation of Li11RE18M4O39-delta: RE = Nd or Sm; M = Al, Co or Fe. Dalton Transactions, 45(1), 315-323. View this article in WRRO
- Synthesis, structure and electrical properties of N-doped Li3VO4. Journal of Materials Chemistry A(4), 1408-1413. View this article in WRRO
- Interface influence on the properties of Co90Fe10 films on soft magnetic underlayers - Magnetostrictive and Mössbauer spectrometry studies. Journal of Magnetism and Magnetic Materials, 401, 943-948. View this article in WRRO
- Magnetic and structural characterization of NiFe/Fe30Co70 Bilayers. IEEE Transactions on Magnetics, 50(11). View this article in WRRO
- Influence of soft magnetic underlayers on the magnetic properties of Co90Fe10 films. Journal of Magnetism and Magnetic Materials, 357, 87-92.
- Selective behaviour of dilute Fe3 + ions in silicate glasses: An Fe K-edge EXAFS and XANES study. Journal of Non Crystalline Solids, 387, 47-56.
- Effect of the Ni81Fe19 thickness on the magnetic properties of Ni81Fe19/Fe50Co50 bilayers. Journal of Magnetism and Magnetic Materials, 331, 67-71.
- Crystal structure determination by combined synchrotron powder X-ray diffraction and crystal structure prediction: 1:1 l-ephedrine d-tartrate. Crystengcomm, 15(10), 1853-1859.
- Synthesis and characterization of Li11Nd18Fe4O(39-δ).. Inorg Chem, 51(15), 8073-8082.
- Lithium-Ion Conduction Pathways in Complex Lithium Spine Is Li2MGe3O8 (M = Ni or Zn). CHEM MATER, 23(15), 3556-3563.
- ChemInform Abstract: Synthesis, Structural Characterization and Li+ Ion Conductivity of a New Vanado‐Molybdate Phase, LiMg3VMo2O12.. ChemInform, 42(7).
- Synthesis, structure and electrical properties of Cu3.21Ti1.16Nb2.63O12 and the CuO x -TiO2-Nb2O5 pseudoternary phase diagram. Journal of Solid State Chemistry.
- Synthesis, structural characterization and Li+ ion conductivity of a new vanado-molybdate phase, LiMg3VMo2O12. Journal of Solid State Chemistry.
- Crystal Structure and Microwave Dielectric Properties of LaLuO3 Ceramics. J AM CERAM SOC, 93(10), 2960-2963.
- Polymorphism, Phase Transitions, and Thermal Stability of L-Pyroglutamic Acid. CRYST GROWTH DES, 10(7), 3141-3148.
- Phase Transformations of Glutamic Acid and Its Decomposition Products. CRYST GROWTH DES, 10(2), 988-994.
- Oxygen nonstoichiometry and phase transitions in LiMn1.5Ni0.5O4-delta. J ELECTROCHEM SOC, 155(4), A282-A291.
- Variable oxygen stoichiometry in layered rock salt cathodes, Li-x(Mn,Ni)O-2, depending on synthesis conditions. JOURNAL OF POWER SOURCES, 174(2), 1078-1081.
- Oxygen stoichiometry-structure-property correlations in Li-2/3[Mn2/3Ni1/3]O2-delta with O-3 structure. J ELECTROCHEM SOC, 154(8), A760-A769.
- Order-disorder transition in the complex lithium spinel Li2CoTi3O8. J SOLID STATE CHEM, 180(6), 1894-1901.
- Oxygen content and electrochemical activity of LiCoMnO4-delta. J MATER CHEM, 15(41), 4435-4440.
- Co-doped Mn3O4: a possible anode material for lithium batteries. J POWER SOURCES, 141(1), 156-158.
- Thick lamellar textures and high ambient conductivity in de-blended mixtures of low-dimensional systems of two polymers and Li salts. ELECTROCHIMICA ACTA, 48(14-16), 1939-1951.
- Reversible spinel to rock salt transition in LiCoMnO delta by oxygen (de) intercalation. J MATER CHEM, 11(2), 249-250.
- Database-scale validation of Hoppe's MAPLE additivity theorem for perovskite and pyrochlore oxides. Journal of Applied Crystallography. View this article in WRRO
- Automated bond valence sum analysis for crystallographic database quality assessment: a systematic study of rock salt oxides, halides, and chalcogenides. Dalton Transactions.
- Data integrity in materials science in the era of AI: balancing accelerated discovery with responsible science and innovation. Journal of Materials Chemistry A.
- High temperature and ion implantation-induced phase transformations in novel reduced activation Si-Fe-V-Cr (-Mo) high entropy alloys. Frontiers in Materials, 6. View this article in WRRO
- Insights into the Influence of Solvent Polarity on the Crystallization of Poly(ethylene oxide) Spin-Coated Thin Films via in Situ Grazing Incidence Wide-Angle X-ray Scattering. Macromolecules, 49(12), 4579-4586. View this article in WRRO
Book chapters
- Instrument Design, Inside Energy Storage Materials AIP Publishing LLCMelville, New York
- X-ray Absorption Spectroscopy, Inside Energy Storage Materials AIP Publishing LLCMelville, New York
- Operando and In Situ Electrochemical Cell Designs, Inside Energy Storage Materials AIP Publishing LLCMelville, New York
- Diffraction Basics, Inside Energy Storage Materials AIP Publishing LLCMelville, New York
- Electrochemistry in the Wild, Inside Energy Storage Materials AIP Publishing LLCMelville, New York
- Emergent Techniques and Future Directions, Inside Energy Storage Materials AIP Publishing LLCMelville, New York
- Non-Ambient Experiments for Energy Storage Materials, Inside Energy Storage Materials AIP Publishing LLCMelville, New York
- Introduction to the Materials Science of Rechargeable Batteries, Inside Energy Storage Materials AIP Publishing LLCMelville, New York
Conference proceedings
- Establishing operando diffraction capability through the study of Li-ion (de) intercalation in LiFePO4. Energy Reports, Vol. 6(Supplement 5) (pp 174-179). Southampton, UK, 9 July 2019 - 10 July 2019.
- The Spinel LiCoMnO4: 5V cathode and conversion anode. Energy Procedia, Vol. 151 (pp 158-162). Sheffield, UK, 11 September 2018 - 11 September 2018. View this article in WRRO
- Application of virtual learning environments to support research and teaching in the 21st century university. 6th International Symposium on Engineering Education (pp 101-108). Manchester, 14 July 2016 - 15 July 2016.
- High temperature behaviour of polyoxometalates containing lanthanides. SCIENTIFIC BASIS FOR NUCLEAR WASTE MANAGEMENT XXXI, Vol. 1107 (pp 347-353)
Reports
- Crystal structure determination of a complex pharmaceutical compound using
synchrotron powder X-ray diffraction
Preprints
- Database-Scale Validation of Hoppe's MAPLE Additivity Theorem for Perovskite and Pyrochlore Oxides, American Chemical Society (ACS). View this article in WRRO
- Occupancy-Weighted Global Instability Index: A Pragmatic Metric for Disordered Crystal Structures, American Chemical Society (ACS).
- Inside Energy Storage Materials. AIP Publishing LLCMelville, New York.
- Teaching interests
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I'm particularly interested in making advanced characterisation methods, and the computational tools used to interpret them, accessible to students without a strong existing background in programming or crystallography. I also care about teaching structural credibility and the responsible use of AI tools directly, rather than leaving students to work out good practice for themselves.
- Teaching activities
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I supervise PhD, MSc and final-year undergraduate research students working across battery materials, crystallography, data integrity and materials characterisation, and contribute to doctoral training through my role as Head of the Engineering Doctoral School. Within the School, I teach:
- CMB4142/609: Materials Processing and Characterisation
- CMB4104 - Energy Storage Technologies
- CMB312 - Advanced Functional Materials
- CMB222/223 - Perspectives in Materials Research/ Materials Development
- Professional activities and memberships
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- Member of the Royal Society of Chemistry
- Senior Fellow of the Higher Education Authority