orcid.org/0000-0002-4923-3003Here is a list of my academic publications to date. Where available there is a link to a page containing the abstract and where allowed the full text of the publication.
orcid.org/0000-0002-4923-3003
J Clymo, C M Collins, K Atkinson, M S Dyer, M W Gaultois, V Gusev, M J Rosseinsky & S Schewe
Exploration of Chemical Space through Automated Reasoning
Angew. Chem. Int. Ed. (2024) Accepted
C Zhang, D Antypov, M J Rosseinsky & M S Dyer
Accelerating Metal-Organic Framework Discovery via Synthesisability Prediction: The MFD Evaluation Method for One-Class Classification Models
Digital Discovery (2024) Accepted
H Bazzaoui, M Gao, O Hernandez, S Chenu, L He, C Genevois, E Véron, L del Campo, M Allix, G R Darling, M S Dyer & M J Pitcher
La substitution into the melilite derivative Ca5Ga6O14: Prediction, synthesis and ionic conductivity
Inorg. Chem. 63 (2024) 18902–18913
N Hulai, M Zanella, C Robertson, D Ritchie, M Sonni, M A Wright, J A Newnham, C J Hawkins, J Whitworth, B Mali, H Niu, M S Dyer, C M Collins, L M Daniels, J B Claridge & M J Rosseinsky
Navigation through High-dimensional Chemical Space: Discovery of Ba5Y13[SiO4]8O8.5 and Ba3Y2[Si2O7]2
Chem. Sci. 15 (2024) 16503–16518
X Fang, V Castaing, A I Becerro, W Cao, E Véron, D Zanghi, M S Dyer, C Genevois, M Allix & M J Pitcher
Realization of Extreme Nonstoichiometry in Gadolinium Aluminate Garnets by Glass Crystallization Synthesis
Chem. Mater. 36 (2024) 8555–8563
D Markad, L J Kershaw Cook, R Pétuya, Y Yan, O Gilford, A Verma, B Mali, C M Robertson, N G Berry, G R Darling, M S Dyer, D Antypov, A P Katsoulidis & M J Rosseinsky
Recognition and order of multiple sidechains by metal-organic framework enhances the separation of hexane isomers
Angew. Chem. Int. Ed. (2024) e202411960
Y-C Chen, A Sihag, R Sarkar, T-Y Chen, M S Dyer, F-G Tseng & Hsin-Yi Tiffany Chen
Hydrogen Adsorption, Migration and Desorption on Amorphous Carbon: A DFT and AIMD Study
Mater. Chem. Phys. 325 (2024) 129711
G Han, L M Daniels, A Vasylenko, K A Morrison, L Corti, C M Collins, H Niu, R Chen, C M Roberston, F Blanc, M S Dyer, John B Claridge & M J Rosseinsky
Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li7Si2-xGexS7I
Angew. Chem. Int. Ed. (2024) e202409372
A Tsili, M S Dyer, V V Gusev, P Krysta & R Savani
First Order Methods for Geometric Optimization of Crystals: Theoretical Derivations
Adv. Theory Simul. (2024) 2400125
A Tsili, M S Dyer, V V Gusev, P Krysta & R Savani
First Order Methods for Geometric Optimization of Crystals: Experimental Analysis
Adv. Theory Simul. (2024) 2400124
W Xuan, Y-H Liu, S-Y Chen, M S Dyer & H-Y T Chen
Unveiling the Morphology of Carbon-Supported Ru Nanoparticles by Multiscale Modeling
Nano Lett. 24 (2024) 2689–2697
C J Hawkins, J A Newnham, B Almoussawi, N L Gulay, S L Goodwin, M Zanella, T D Manning, L M Daniels, M S Dyer, T D Veal, J B Claridge & M J Rosseinsky
Synthesis, Structure, and Properties of CuBiSeCl2: A Chalcohalide Material with Low Thermal Conductivity
Chem. Mater. 36 (2024) 4530–4541
D Antypov, C M Collins, A Vasylenko, V Gusev, M W Gaultois, G R Darling, M S Dyer, & M J Rosseinsky
Statistically Derived Proxy Potentials Accelerate Geometry
Optimization of Crystal Structures
ChemPhysChem (2024) e202400254
Q D Gibson, D Wen, H Lin, M Zanella, L M Daniels, C M Robertson, J B Claridge, J Alaria, M S Dyer, & M J Rosseinsky
Control of Polarity in Kagome-NiAs Bismuthides
Angew. Chem. Int. Ed. (2024) e202403670
M A Wright, T W Surta, J A Evans, J Lim, H Jo, C J Hawkins, M Bahri, L M Daniels, R Chen, M Zanella, L G Chagas, J Cookson, P Collier, G Cibin, A V Chadwick, M S Dyer, N D Browning, J B Claridge, L J Hardwick & M J Rosseinsky
Accessing Mg-Ion Storage in V2PS10 via Combined Cationic-Anionic Redox with Selective Bond Cleavage
Angew. Chem. Int. Ed. (2024) e202400837
G Han, A Vasylenko, L M Daniels, C M Collins, L Corti, R Chen, H Niu, T D Manning, D Antypov, M S Dyer, J Lim, M Zanella, M Sonni, M Bahri, H Jo, Y Dang, C M Robertson, F Blanc, L J Hardwick, N D Browning, J B Claridge & M J Rosseinsky
Superionic lithium transport via multiple coordination environments defined by two-anion packing
Science 383 (2024) 739–745
A Vasylenko, B Asher, C Collins, M W Gaultois, G R Darling, M S Dyer & M J Rosseinsky
Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials
J. Chem. Phys. 160 (2024) 054110
E Zamaraeva, C M Collins, D Antypov, V V Gusev, R Savani, M S Dyer, G Darling, I Potapov, M J Rosseinsky & P G Spirakis
Reinforcement Learning in Crystal Structure Prediction
Digital Discovery 2 (2023) 1831–1840
A Sihag, Y I A Reyes, Y-C Lin, M S Dyer & H-Y T Chen
How Do Defects Affect Hydrogen Spillover on Graphene-Supported Pt? A DFT Study.
Materials Today Sustainability 24 (2023) 100554
S Durdy, C J Hargreaves, M Dennison, B Wagg, M Moran, J A Newnham, M W Gaultois, M J Rosseinsky & M S Dyer
The Liverpool Materials Discovery Server: A suite of computational tools for the collaborative discovery of materials.
Digital Discovery 2 (2023) 1601–1611
V V Gusev, D Adamson, A Deligkas, D Antypov, C M Collins, P Krysta, I Potapov, G R Darling, M S Dyer, P Spirakis & M J Rosseinsky
Optimality guarantees for crystal structure prediction.
Nature 619 (2023) 68–72
A Vasylenko, D Antypov, V V Gusev, M W Gaultois, M S Dyer & M J Rosseinsky
Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties
npj Comput. Mater. 9 (2023) 164
M O'Sullivan, J Alaria, M S Dyer, J B Claridge, M J Rosseinsky & M W Gaultois
Epitaxial growth, optical and electrical conductivity of the metallic pyrochlore Bi2Ru2O7 on Y-stabilized ZrO2 substrate
APL Mater. 11 (2023) 050702
T X Nguyen, J Patra, C-C Tsai, W-Y Xuan, H-Y T Chen, M S Dyer, O Clemens, J Li, S B Majumder, J-K Chang & J-M Ting
Secondary-Phase-Induced Charge–Discharge Performance Enhancement of Co-Free High Entropy Spinel Oxide Electrodes for Li-Ion Batteries.
Adv. Funct. Mater. 33 (2023) 2300509
L-j Yang, W Xuan, D Webster, L K Jagadamma, T Li, D N Miller,
D B Cordes, A M Z Slawin, G A Turnbull, I D W Samuel, H-Y Chen,
P Lightfoot, M S Dyer & J L Payne
Manipulation of the Structure and Optoelectronic Properties through Bromine Inclusion in a Layered Lead Bromide Perovskite
Chem. Mater. 35 (2023) 3801–3814
H Cai, R Chen, M Bahri, C J Hawkins, M Sonni, L M Daniels, J Lim, J A Evans, M Zanella, L A H Jones, T D Manning, T D Veal, L J Hardwick, M S Dyer, N D Browning, J B Claridge & M J Rosseinsky
Fluorine-Rich Oxyfluoride Spinel-like Li1.25Ni0.625Mn1.125O3F Utilizing Redox-Active Ni and Mn for High Capacity and Improved Cyclability
ACS Materials Lett. 5 (2023) 527–535
C J Hargreaves, M W Gaultois, L M Daniels, E J Watts, V A Kurlin, M Moran, Y Dang, R Morris, A Morscher, K Thompson, M A Wright, B-E Prasad, F Blanc, C M Collins, C A Crawford, B B Duff, J Evans, J Gamon, G Han, B T Leube, H Niu, A J Perez, A Robinson, O Rogan, P M Sharp, E Shoko, M Sonni, W J Thomas, A Vasylenko, L Wang, M J Rosseinsky & M S Dyer
A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities Evaluated with Machine Learning
npj Comput. Mater. 9 (2023) 9
The associated database can be accessed here.
A Morscher, B B Duff, G Han, L M Daniels, Y Dang, M Zanella, M Sonni, A Malik, M S Dyer, R Chen, F Blanc, J B Claridge & M J Rosseinsky
Control of ionic conductivity by lithium distribution in the cubic oxide argyrodites Li6+xP1-xSixO5Cl
J. Amer. Chem. Soc. 144 (2022) 22178–22192
Q D Gibson, C M Robertson, M S Dyer, M Zanella, T W Surta, J B Claridge, J Alaria & M J Rosseinsky
Single crystal growth and properties of the polar ferromagnet Mn1.05Bi with Kagome layers, huge magnetic anisotropy and slow spin dynamics
Phys. Rev. Mater. 6 (2022) 114405
A Vriza, I Sovago, D Widdowson, V Kurlin, P A Wood & M S Dyer
Molecular Set Transformer: Attending to the co-crystals in the Cambridge Structural Database
Digital Discovery 1 (2022) 834–850
R C Dickson, T D Manning, E S Raj, J C S Booth, M J Rosseinsky & M S Dyer
Predicting spinel solid solutions using a random atom substitution method
Phys. Chem. Chem. Phys. 24 (2022) 16374–16387
Q D Gibson, J A Newnham, M S Dyer, C M Robertson, M Zanella, T W Surta, L M Daniels, J Alaria, J B Claridge & M J Rosseinsky
Expanding multiple anion superlattice chemistry: Synthesis, structure and properties of Bi4O4SeBr2 and Bi6O6Se2Cl2
J. Solid State Chem. 312 (2022) 123246
B T Leube, C M Collins, L M Daniels, B B Duff, Y Dang, R Chen, M W Gaultois, T D Manning, F Blanc, M S Dyer, J B Claridge & M J Rosseinsky
Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li7Zn0.5SiS6
Chem. Mater. 34 (2022) 4073–4087
R Pétuya, S Durdy, D Antypov, M W Gaultois, N G Berry, G R Darling, A P Katsoulidis, M S Dyer & M J Rosseinsky
Machine Learning Prediction of Metal-Organic Framework Guest Accessibility from Linker and Metal Chemistry
Angew. Chem. Int. Ed. (2022) e202114573
J Gamon, M S Dyer, B B Duff, A Vasylenko, L M Daniels, M Zanella, M W Gaultois, F Blanc, J B Claridge & M J Rosseinsky
Li4.3AlS3.3Cl0.7: A Sulfide-Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity
Chem. Mater. 33 (2021) 8733–8744
G Han, A Vasylenko, A R Neale, B B Duff, R Chen, M S Dyer, Y Dang, L M Daniels, M Zanella, C M Robertson, L J Kershaw Cook, A-L Hansen, M Knapp, L J Hardwick, F Blanc, J B Claridge & M J Rosseinsky
Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability
J. Am. Chem. Soc. 143 (2021) 18216–18232
H C Sansom, L R V Buizza, M Zanella, J Gibbon, M J Pitcher, M S Dyer, T D Manning, V Dhanak, L M Herz, H J Snaith, J B Claridge & M J Rosseinsky
Chemical Control of the Dimensionality of the Octahedral Network of Solar Absorbers from the CuI-AgI-BiI3 Phase Space by Synthesis of 3D CuAgBiI5
Inorg. Chem. 60 (2021) 18154–18167
A Vasylenko, J Gamon, B B Duff, V V Gusev, L M Daniels, M Zanella, J F Shin, P M Sharp, A Morscher, R Chen, A R Neale, L J Hardwick, J B Claridge, F Blanc, M W Gaultois, M S Dyer & M J Rosseinsky
Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry
Nat. Commun. 12 (2021) 5561
Q D Gibson, T Zhao, L M Daniels, H C Walker, R Daou, S Hébert, M Zanella, M S Dyer, J B Claridge, B Slater, M W Gaultois, F Corà, J Alaria & M J Rosseinsky
Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch
Science 373 (2021) 1017–1022
E Shoko & Y Dang, G Han, B Duff, M S Dyer, L M Daniels, R Chen, F Blanc, J B Claridge, & M J Rosseinsky
Polymorph of LiAlP2O7: Combined Computational, Synthetic, Crystallographic , and Ionic Conductivity Study
Inorg. Chem. 60 (2021) 14083–14095
C M Collins, L M Daniels, Q Gibson, M W Gaultois, M Moran, R Feetham, M J Pitcher, M S Dyer, C Delacotte, M Zanella, C A Murray, G Glodan, O Perez, D Pelloquin, T D Manning, J Alaria, G R Darling, J B Claridge, & M J Rosseinsky
Discovery of a low thermal conductivity oxide guided by probe structure prediction and machine learning
Angew. Chem. Int. Ed. 60 (2021) 16457–16465
P A E Murgatroyd, K Routledge, S Durdy, M W Gaultois, T W Surta, M S Dyer, J B Claridge, S N Savvin, D Pelloquin, S Hébert, & J Alaria
Chemically Controllable Magnetic Transition Temperature and Magneto-Elastic Coupling in MnZnSb Compounds
Adv. Funct. Mater. 31 (2021) 2100108
H C Sansom, G Longo, A D Wright, L R V Buizza, S Mahesh, B Wenger, M Zanella, M Abdi-Jalebi, M J Pitcher, M S Dyer, T D Manning, R H Friend, L M Herz, H J Snaith, J B Claridge, & M J Rosseinsky
Highly Absorbing Lead-Free Semiconductor Cu2AgBiI6 for Photovoltaic Applications from the Quaternary CuI-AgI-BiI3 Phase Space
J. Am. Chem. Soc. 143 (2021) 3983–3992
A Morcher, M S Dyer, B B Duff, G Han, J Gamon, L M Daniels. Y Dang, T W Surta, C M Robertson, F Blanc, J B Claridge, & M J Rosseinsky
Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking
Chem. Mater. 33 (2021) 2206–2217
A Vriza, A B Canaj, R Vismara, L J Kershaw Cook, Troy D Manning, M W Gaultois, P A Wood, V Kurlin, N Berry, M S Dyer, & M J Rosseinsky
One class classification as a practical approach for accelerating π-π co-crystal discovery
Chem. Sci. 12 (2021) 1702–1719
C J Hargreaves, M S Dyer, M W Gaultois, V A Kurlin, & M J Rosseinsky
The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions
Chem. Mater. 32 (2020) 10610–10620
D Antypov, A Shkurenko, P M Bhatt, Y Belmabkhout, K Adil, A Cadiau, M Suyetin, M Eddaoudi, M J Rosseinsky & M S Dyer
Differential guest location by host dynamics enhances propylene/propane separation in a metal-organic framework.
Nature Commun. 11 (2020) 6099
Y Pramudya, S Bonakala, D Antypov, P M Bhatt, A Shkurenko, M Eddaoudi, M J Rosseinsky & M S Dyer
High-Throughput Screening of Metal-Organic Frameworks for Kinetic Separation of Propane and Propene
Phys. Chem. Chem. Phys. 22 (2020) 23073–23082
J Gamon, A J Perez, L A H Jones, M Zanella, L M Daniels, R E Morris, C C Tang, T D Veal, L J Hardwick, M S Dyer, J B Claridge, & M J Rosseinsky
Na2Fe2OS2, a new earth abundant oxysulphide cathode material for Na-ion batteries
J. Mater. Chem A. 8 (2020) 20553–20569
M Pasta, D Armstrong, Z L Brown, J Bu, M R Castell, P Chen, A Cocks, S A Corr, E J Cussen, E Darnbrough, V Deshpande, C Doerrer, M S Dyer, H El-Shinawi, N Fleck, P Grant, G L Gregory, C Grovenor, L J Hardwick, J T S Irvine, H J Lee, G Li, E Liberti, I McClelland, C Monroe, P D Nellist, P R Shearing, Elvis Shoko, W Song, D S Jolly, C I Thomas, S J Turrell, M Vestli, C K Williams, Y Zhou, & P G Bruce
Topical Review: 2020 roadmap on solid-state batteries
J. Phys. Energy 2 (2020) 032008
P M Sharp, M S Dyer, G R Darling, J B Claridge, & M J Rosseinsky
Chemically directed structure evolution for crystal structure prediction
Phys. Chem. Chem. Phys. 22 (2020) 18205–18218
C I Hiley, K K Inglis, M Zanella, J Zhang, T D Manning, M S Dyer, T Knaflic, D Arcon, F Blanc, K Prassides, & M J Rosseinsky
Crystal Structure and Stoichiometric Composition of Potassium-Intercalated Tetracene
Inorg. Chem. 59 (2020) 12545–12551
Y Yan, E J Carrington, R Pétuya, G F S Whitehead, A Verma, R K Hylton, C C Tang, N G Berry, G R Darling, M S Dyer, D Antypov, A P Katsoulidis, & M J Rosseinsky
Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests
J. Am. Chem. Soc. 142 (2020) 14903–14913
Q D Gibson, T D Manning, M Zanella, T Zhao, P A E Murgatroyd, C M Robertson, L A H Jones, F McBride, R Raval, F Cora, B Slater, J B Claridge, V R Dhanak, M S Dyer, J Alaria, & M J Rosseinsky
Modular Design via Multiple Anion Chemistry of the High Mobility van der Waals Semiconductor Bi4O4SeCl2
J. Am. Chem. Soc. 142 (2020) 847–856
I. Markovic, C. A. Hooley, O. J. Clark, F. Mazzola, M. D. Watson, J. M. Riley, K. Volckaert, K. Underwood, M. S. Dyer, P. A. E. Murgatroyd, K. J. Murphy, P. Le Fèvre, F. Bertran, J. Fujii, I. Vobornik, S. Wu, T. Okuda, J. Alaria, & P. D. C. King
Weyl-like points from band inversions of spin-polarised surface states in NbGeSb
Nat. Commun. 10 (2019) 5485
A Sihag, Z-L Xie, H V Thang, C-L Kuo, F-G Tseng, M S Dyer, & H-Y T Chen
DFT Insights into Comparative Hydrogen Adsorption and Hydrogen Spillover Mechanisms of Pt4/Graphene and Pt4/Anatase (101) Surfaces
J. Phys. Chem. C 123 (2019) 25618–25627
J Gamon, B B Duff, M S Dyer, C Collins, L M Daniels, T W Surta, P M Sharp, M W Gaultois, F Blanc, J B Claridge, & M J Rosseinsky
Computationally Guided Discovery of the Sulfide Li3AlS3 in the Li-Al-S Phase Field: Structure and Lithium Conductivity
Chem. Mater. 31 (2019) 9699–9714
M Diaz-Lopez, J F Shin, M Li, M S Dyer, M J Pitcher, J B Claridge, F Blanc, & M J Rosseinsky
Interstitial Oxide Ion Conductivity in the Langasite Structure: Carrier Trapping by Formation of (Ga,Ge)2O8 Units in La3Ga5−xGe1+xO14+x/2 (0 < x ≤ 1.5)
Chem. Mater. 31 (2019) 5742–5748
E J Carrington, R Pétuya, R K Hylton, Y Yan, D Antypov, G R Darling, M S Dyer, N G Berry, A P Katsoulidis, & M J Rosseinsky
The Anisotropic Responses of a Flexible Metal-Organic Framework Constructed from Asymmetric Flexible Linkers and Heptanuclear Zinc Carboxylate Secondary Building Units
Cryst. Growth Des. 19 (2019) 5604–5618
Z N Taylor, A J Perez, J A Coca-Clemente, F Braga, N E Drewett, M J Pitcher, W J Thomas, M S Dyer, C Collins, M Zanella, T Johnson, S Day, C Tang, V R Dhanak, J B Claridge, L J Hardwick, & M J Rosseinsky
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. Amer. Chem. Soc. 141 (2019) 7333–7346
J L Stoner, P A E Murgatroyd, M O'Sullivan, M S Dyer, T D Manning, J B Claridge, M J Rosseinsky, & J. Alaria
Chemical Control of Correlated Metals as Transparent Conductors
Adv. Funct. Mater. (2019) 1808609
A P Katsoulidis, D Antypov, G F S Whitehead, E J Carrington, D J Adams, N G Berry, G R Darling, M S Dyer & Matthew J. Rosseinsky
Chemical control of structure and guest uptake by a conformationally mobile porous material
Nature 565 (2019) 213–217
Q D Gibson, M S Dyer, C Robertson, C Delacotte, T D Manning, M J Pitcher, L M Daniels, M Zanella, J Alaria, J B Claridge & M J Rosseinsky
Bi2+2nO2+2nCu2-δSe2+n-δXδ (X = Cl, Br): A Three-Anion Homologous Series
Inorg. Chem. 57 (2018) 12489–12500
B T Leube, K K Inglis, E Carrington, P M Sharp, J F Shin, A R Neale, T D Manning, M J Pitcher, L J Hardwick, M S Dyer, F Blanc, J B Claridge & M J Rosseinsky
Lithium transport in Li4.4M0.4M’0.6S4 (M= Al3+, Ga3+ and M’= Ge4+, Sn4+): Combined crystallographic, conductivity, solid state NMR and computational studies
Chem. Mater. 30 (2018) 7183–7200
C A Tzitzeklis, J K Gupta, M S Dyer, T D Manning, M J Pitcher, H J Niu, S Savvin, J Alaria, G R Darling, J B Claridge & M J Rosseinsky
Computational Prediction and Experimental Realization of p-Type Carriers in the Wide-Band-Gap Oxide SrZn1-xLixO2
Inorg. Chem. 57 (2018) 11874–11883
C Delacotte, G F S Whitehead, M J Pitcher, C M Robertson, P M Sharp, M S Dyer, J Alaria, J B Claridge, G R Darling, D R Allan, Graeme Winter & M J Rosseinsky
Structure determination and crystal chemistry of large repeat mixed-layer hexaferrites
IUCrJ 5 (2018)
L M Daniels, S Ling, S N Savvin, M J Pitcher, M S Dyer, J B Claridge, B Slater, F Corà, J Alaria & M J Rosseinsky
A and B site doping of a phonon-glass perovskite oxide thermoelectric
J. Mater. Chem. A 6 (2018) 15640–15652
D Stewart, D Antypov, M S Dyer, M J Pitcher, A P Katsoulidis, P A Chater, F Blanc & M J Rosseinsky
Stable and ordered amide frameworks synthesised under reversible conditions which facilitate error checking
Nature Comms. 8 (2017) 1102
Q D Gibson, M S Dyer, G F S Whitehead, J Alaria, M J Pitcher, H J Edwards, J B Claridge, M Zanella, K Dawson, T D Manning, V R Dhanak & M J Rosseinsky
Bi4O4Cu1.7Se2.7Cl0.3: Intergrowth of BiOCuSe and Bi2O2Se Stabilized by the Addition of a Third Anion
J. Am. Chem. Soc. 139(44) (2017) 15568–15571
M T Dunstan, H L Schlogelhofer, J M Griffin, M S Dyer, M W Gaultois, C Y Lau, S A Scott, & C P Grey
Ion Dynamics and CO2 Absorption Properties of Nb-, Ta-, and Y-Doped Li2ZrO3 Studied by Solid-State NMR, Thermogravimetry, and First-Principles Calculations
J. Phys. Chem. C, 121 (2017) 21877–21886
L M Daniels, S N Savvin, M J Pitcher, M S Dyer, J B Claridge, S Ling, B Slater, F. Corà, J Alaria & M J Rosseinsky
Phonon-glass electron-crystal behaviour by A site disorder in n-type thermoelectric oxides
Energy Environ. Sci., 10 (2017) 1917–1922
C Collins, M S Dyer, M J Pitcher, G F S Whitehead, M Zanella, P Mandal, J B Claridge, G R Darling & M J Rosseinsky
Accelerated discovery of two crystal structure types in a complex inorganic phase field
Nature 546 (2017) 280–284
F Denis Romero, M J Pitcher, C I Hiley, G F S Whitehead, S Kar, A Y Ganin, D Antypov, C Collins, M S Dyer, G Klupp, R H Colman, K Prassides, & M J Rosseinsky
Redox-controlled potassium intercalation into two polyaromatic hydrocarbon solids
Nature Chem. 9 (2017) 644–652
H C Sansom, G F S Whitehead, M S Dyer, M Zanella, T D Manning, M J Pitcher, T J Whittles, V R Dhanak, J Alaria, J B Claridge, & M J Rosseinsky
AgBiI4 as a Lead-Free Solar Absorber with Potential Application in Photovoltaics
Chem. Mater. 29(4) (2017) 1538–1549
A B Santibáñez-Mendieta, C Didier, K K Inglis, A J Corkett, M J Pitcher, M Zanella, J F Shin, L M Daniels, A Rakhmatullin, M Li, M S Dyer, J B Claridge, F Blanc, & M J Rosseinsky
La3Li3W2O12: Ionic Diffusion in a Perovskite with Lithium on both A- and B-Sites
Chem. Mater. 28 (2016) 7833–7851
M O'Sullivan, J Hadermann, M S Dyer, S Turner, J Alaria, T D Manning, A M Abakumov, J B Claridge, & M J Rosseinsky
Interface control by chemical and dimensional matching in an oxide heterostructure
Nature Chem. 8 (2016) 347–353
L Enciso-Maldonado, M S Dyer, M D Jones, M Li, J L Payne, M J Pitcher, M K Omir, J B Claridge, F Blanc, & M J Rosseinsky
Computational identification and experimental realisation of lithium vacancy introduction into the olivine LiMgPO4
Chem. Mater. 27 (2015) 2074–2091
I Temprano, G Thomas, S Haq, M S Dyer, E G Latter, G R Darling, P Uvdal, & R. Raval
1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces
J. Chem. Phys. 142 (2015) 101916
M J Pitcher, P Mandal, M S Dyer, J Alaria, P Borisov, H Niu, J B Claridge, & M J Rosseinsky
Tilt engineering of spontaneous polarization and magnetization above 300 K in a bulk layered perovskite
Science 347 (2015) 420–424
B Kiss, C Didier, T Johnson, TD Manning, MS Dyer, AJ Cowan, JB Claridge, JR Darwent, & M J Rosseinsky
Photocatalytic Water Oxidation by a Pyrochlore Oxide upon Irradiation with Visible Light: Rhodium Substitution Into Yttrium Titanate
Angew. Chem. Int. Ed. 53 (2014) 14480–14484
K A Bradley, C Collins, M S Dyer, J B Claridge, G R Darling, & M J Rosseinsky
Reported and predicted structures of Ba(Co,Nb)1-δO3 hexagonal perovskite phases
Phys. Chem. Chem. Phys. 16 (2014) 21073–2108
J Alaria, P Borisov, M S Dyer, T D Manning, S Lepadatu, M G Cain, E D Mishina, N E Sherstyuk, N A Ilyin, J Hadermann, D Lederman, J B Claridge, & M J Rosseinsky
Engineered spatial inversion symmetry breaking in an oxide heterostructure built from isosymmetric room-temperature magnetically ordered components
Chem. Sci. 5 (2014) 1599–1610
C Collins, M S Dyer, A Demont, P A Chater, M F Thomas, G R Darling, J B Claridge, & M J Rosseinsky
Computational prediction and experimental confirmation of B-site doping in YBa2Fe3O8
Chem. Sci. 5 (2014) 1493–1505
M S Dyer, C Collins, D Hodgeman, P A Chater, A Demont, S Romani, R Sayers, M F Thomas, J B Claridge, G R Darling, & M J Rosseinsky
Computationally Assisted Identification of Functional Inorganic Materials
Science 340 (2013) 847–852
F Hanke, Matthew S Dyer, J Björk, & M Persson
Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions
J. Phys.: Condens. Matter 24 (2012) 424217
R G Palgrave, P Borisov, M S Dyer, S R C McMitchell, J B Claridge, M J Rosseinsky, M Batuk, J Hadermann, H Tan, H Tian, & J Verbeeck
Artificial construction of the layered Ruddlesden-Popper manganite La2Sr2Mn3O10 by RHEED monitored pulsed laser deposition
J. Am. Chem. Soc., 134 (2012) 7700–7714
M S Dyer, G R Darling, J B Claridge, & M J Rosseinsky
Chemical Bonding and Atomic Structure in
Y2O3:ZrO2-SrTiO3 Layered Heterostructures
Angew. Chem. Int. Ed., 51 (2012) 3418–3422
M Forster, M S Dyer, M Persson, & R Raval
Tailoring Homochirality at Surfaces: Going Beyond Molecular Handedness
J. Am. Chem. Soc., 133 (2011) 15992–16000
S Haq, F Hanke, M S Dyer, M Persson, P Iavicoli, D B Amabilino & R Raval
Clean Coupling of Unfunctionalized Porphyrins at Surfaces To Give Highly Oriented Organometallic Oligomers
J. Am. Chem. Soc., 133 (2011) 12031–12039
M S Dyer, A Robin, S Haq, R Raval, M Persson & J Klimeš
Understanding the Interaction of the Porphyrin Macrocycle to Reactive Metal Substrates: Structure, Bonding, and Adatom Capture
ACS Nano, 5 (2011) 1831–1838
M Forster, M S Dyer, M Persson & R Raval
Assembly of Chiral Amino-Acids at Surfaces from a Single Molecule Perspective: Proline on Cu(110)
Top. Catal., 54 (2011) 13–19
M Forster, M S Dyer, S D Barrett, M Persson & R Raval
Mapping Complex Chiral Adlayers: A Truly Random 2-D Solid Solution of (RS)-3-Pyrroline-2-Carboxylic Acid on Cu(110)
J. Phys. Chem. C, 115 (2011) 1180–1185
JH Clark, MS Dyer, RG Palgrave, CP Ireland, JR Darwent, JB Claridge & MJ Rosseinsky
Visible light Photo-oxidation of Model Pollutants Using CaCu3Ti4O12: An Experimental and Theoretical Study of Optical Properties, Electronic Structure and Selectivity
J. Am. Chem. Soc., 133 (2011) 1016–1032
F Mohn, J Repp, L Gross, G Meyer, MS Dyer and M Persson
Reversible Bond Formation in a Gold-Atom–Organic-Molecule Complex as a Molecular Switch
Phys. Rev. Lett., 105 (2010) 266102
A Demont, MS Dyer, R Sayers, MF Thomas, M Tsiamtsouri, HN Nui, GR Darling, A Daoud-Aladine, JB Claridge & MJ Rosseinsky
Stabilization of a Complex Perovskite Superstructure under Ambient Conditions: Influence of Cation Composition and Ordering, and Evaluation as an SOFC Cathode
Chem. Mater., 22 (2010) 6598–6615
P Donovan, A Robin, M S Dyer, M Persson & R Raval
Unexpected Deformations Induced by Surface Interaction and Chiral Self-Assembly of CoII-Tetraphenylporphyrin (Co-TPP) Adsorbed on Cu(110): A Combined STM and Periodic DFT Study
Chem.-Eur. J., 16 (2010) 11641–11652
A Robin, P Iavicoli, K Wurst, M S Dyer, S Haq, D B Amabilino & R Raval
A Racemic Conglomerate Nipped in the Bud: A Molecular View of Enantiomer Cross-Inhibition of Conglomerate Nucleation at a Surface
Cryst. Growth Des., 10 (2010) 4516–4525
M S Dyer, & M Persson
The nature of the observed free-electron-like state in a PTCDA monolayer on Ag(111)
New J. Phys., 12 (2010) 063014
J Björk, M Matena, M S Dyer, M Enache, J Lobo-Checa, L H Gade, T A Jung, M Stöhr, M Persson,
STM fingerprint of molecule-adatom interactions in a self-assembled metal-organic surface coordination network on Cu(111)
Phys. Chem. Chem. Phys., 12 (2010) 8815–8821
M Forster, M S Dyer, M Persson & R Raval
2D Random Organization of Racemic Amino Acid Monolayers Driven by Nanoscale Adsorption Footprints: Proline on Cu(110)
Angew. Chem., Int. Ed., 49 (2010) 2344–2348
M Matena, M Stöhr, Till Riehm, J Björk, S Martens, M S Dyer, M Persson, J Lobo-Checa, K Müller, M Enache, H Wadepohl, J Zegenhagen, T A Jung, L H Gade
Aggregation and Contingent Metal/Surface Reactivity of 1,3,8,10-Tetraazaperopyrene (TAPP) on Cu(111)
Chem.-Eur. J., 16 (2010) 2079–2091
C-A Palma, J Björk, M Bonini, M S Dyer, A Llanes-Pallas, D Bonifazi, M Persson & P Samori
Tailoring bicomponent supramolecular nanoporous networks: Phase segregation, polymorphism, and glasses at the solid-liquid interface
J. Am. Chem. Soc., 131 (2009) 13062–13071
M Forster, M S Dyer, M Persson & R Raval
Probing conformers and adsorption footprints at the single-molecules level in a highly organized amino acid assembly of (S)-proline on Cu(110)
J. Am. Chem. Soc., 131 (2009) 10173–10181
A Robin, L Marnell, J Björk, M S Dyer, P S Bermudez, S Haq, S D Barrett, M Persson, A Minoia, R Lazzaroni, and R Raval
Adsorption and organization of the organic radical 3-carboxy proxyl on a Cu(110) surface: A combined STM, RAIRS and DFT study
J. Phys. Chem. C, 113 (2009) 13223–13230
M S Dyer & M Persson
The nature of highly anisotropic free-electron-like states in a glycinate monolayer on Cu(100)
J. Phys.: Condens. Matter, 20 (2008) 312002
L Grill, M Dyer, L Lafferentz, M Persson, M V Peters & S Hecht
Nano-Architectures by Covalent Assembly of Molecular Building Blocks
Nat. Nano., 2 (2007) 687–691
M S Dyer
Using Quantum Mechanics to Investigate the Location and Diffusion of Hydrogen and its Isotopes in Metals
PhD thesis. Peterhouse, University of Cambridge. (2006)
C Zhang, M Dyer & A Alavi
Quantum Delocalization of Hydrogen in the Li2NH Crystal
J. Phys. Chem. B, 109 (2005) 22089–22091
M Dyer, C Zhang & A Alavi
Quantum Diffusion of Hydrogen and Isotopes in Metals
ChemPhysChem, 6 (2005) 1711–1715
