2024
Gibson, Q. D., Wen, D., Lin, H., Zanella, M., Daniels, L. M., Robertson, C. M., . . . Rosseinsky, M. J. (2024). Control of Polarity in Kagome-NiAs Bismuthides.. Angewandte Chemie (International ed. in English), e202403670. doi:10.1002/anie.202403670DOI: 10.1002/anie.202403670
Gibson, Q. D., Wen, D., Lin, H., Zanella, M., Daniels, L. M., Robertson, C. M., . . . Rosseinsky, M. J. (n.d.). Control of Polarity in Kagome‐NiAs Bismuthides. Angewandte Chemie. doi:10.1002/ange.202403670DOI: 10.1002/ange.202403670
Wright, M. A., Surta, T. W., Evans, J. A., Lim, J., Jo, H., Hawkins, C. J., . . . Rosseinsky, M. J. (2024). Accessing Mg-Ion Storage in V2PS10 via Combined Cationic-Anionic Redox with Selective Bond Cleavage.. Angewandte Chemie (International ed. in English), e202400837. doi:10.1002/anie.202400837DOI: 10.1002/anie.202400837
Wright, M. A., Surta, T. W., Evans, J. A., Lim, J., Jo, H., Hawkins, C. J., . . . Rosseinsky, M. J. (n.d.). Accessing Mg‐Ion Storage in V2PS10 via Combined Cationic‐Anionic Redox with Selective Bond Cleavage. Angewandte Chemie. doi:10.1002/ange.202400837DOI: 10.1002/ange.202400837
Unveiling the Morphology of Carbon-Supported Ru Nanoparticles by Multiscale Modeling. (Journal article)
Xuan, W., Liu, Y. -H., Chen, S. -Y., Dyer, M. S., & Chen, H. -Y. T. (2024). Unveiling the Morphology of Carbon-Supported Ru Nanoparticles by Multiscale Modeling.. Nano letters, 24(9), 2689-2697. doi:10.1021/acs.nanolett.3c03796DOI: 10.1021/acs.nanolett.3c03796
Han, G., Vasylenko, A., Daniels, L. M., Collins, C. M., Corti, L., Chen, R., . . . Rosseinsky, M. J. (2024). Superionic lithium transport via multiple coordination environments defined by two-anion packing. Science, 383(6684), 739-745. doi:10.1126/science.adh5115DOI: 10.1126/science.adh5115
Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials. (Journal article)
Vasylenko, A., Asher, B. M., Collins, C. M., Gaultois, M. W., Darling, G. R., Dyer, M. S., & Rosseinsky, M. J. (2024). Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials.. The Journal of chemical physics, 160(5), 054110. doi:10.1063/5.0180818DOI: 10.1063/5.0180818
2023
Vasylenko, A., Antypov, D., Gusev, V. V., Gaultois, M. W., Dyer, M. S., & Rosseinsky, M. J. (2023). Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties. NPJ COMPUTATIONAL MATERIALS, 9(1). doi:10.1038/s41524-023-01072-xDOI: 10.1038/s41524-023-01072-x
How do defects affect hydrogen spillover on graphene-supported Pt? A DFT study (Journal article)
Sihag, A., Reyes, Y. I. A., Lin, Y. -C., Dyer, M. S., & Tiffany Chen, H. -Y. (2023). How do defects affect hydrogen spillover on graphene-supported Pt? A DFT study. Materials Today Sustainability, 24, 100554. doi:10.1016/j.mtsust.2023.100554DOI: 10.1016/j.mtsust.2023.100554
Zamaraeva, E., Collins, C. M., Antypov, D., Gusev, V. V., Savani, R., Dyer, M. S., . . . Spirakis, P. G. (n.d.). Reinforcement Learning in Crystal Structure Prediction. Digital Discovery. doi:10.1039/d3dd00063jDOI: 10.1039/d3dd00063j
Durdy, S., Hargreaves, C. J., Dennison, M., Wagg, B., Moran, M., Newnham, J. A., . . . Dyer, M. S. (n.d.). The Liverpool materials discovery server: a suite of computational tools for the collaborative discovery of materials. Digital Discovery, 2(5), 1601-1611. doi:10.1039/d3dd00093aDOI: 10.1039/d3dd00093a
Secondary-Phase-Induced Charge-Discharge Performance Enhancement of Co-Free High Entropy Spinel Oxide Electrodes for Li-Ion Batteries (Journal article)
Nguyen, T. X., Patra, J., Tsai, C. -C., Xuan, W. -Y., Chen, H. -Y. T., Dyer, M. S. S., . . . Ting, J. -M. (2023). Secondary-Phase-Induced Charge-Discharge Performance Enhancement of Co-Free High Entropy Spinel Oxide Electrodes for Li-Ion Batteries. ADVANCED FUNCTIONAL MATERIALS, 33(30). doi:10.1002/adfm.202300509DOI: 10.1002/adfm.202300509
Adamson, D., Gusev, V. V., Deligkas, A., Antypov, D., Collins, C. M., Krysta, P., . . . Rosseinsky, M. J. (2023). Optimality Guarantees for Crystal Structure Prediction. Nature. doi:10.1038/s41586-023-06071-yDOI: 10.1038/s41586-023-06071-y
Secondary‐Phase‐Induced Charge–Discharge Performance Enhancement of Co‐Free High Entropy Spinel Oxide Electrodes for Li‐Ion Batteries (Adv. Funct. Mater. 30/2023) (Journal article)
Nguyen, T. X., Patra, J., Tsai, C., Xuan, W., Chen, H. T., Dyer, M. S., . . . Ting, J. (2023). Secondary‐Phase‐Induced Charge–Discharge Performance Enhancement of Co‐Free High Entropy Spinel Oxide Electrodes for Li‐Ion Batteries (Adv. Funct. Mater. 30/2023). Advanced Functional Materials, 33(30). doi:10.1002/adfm.202370187DOI: 10.1002/adfm.202370187
Yang, L. -J., Xuan, W., Webster, D., Jagadamma, L. K., Li, T., Miller, D. N., . . . Payne, J. L. (2023). Manipulation of the Structure and Optoelectronic Properties through Bromine Inclusion in a Layered Lead Bromide Perovskite. CHEMISTRY OF MATERIALS, 35(10), 3801-3814. doi:10.1021/acs.chemmater.2c03125DOI: 10.1021/acs.chemmater.2c03125
O'Sullivan, M., Alaria, J., Dyer, M. S., Claridge, J. B., Gaultois, M. W., & Rosseinsky, M. J. (2023). Epitaxial growth, optical and electrical conductivity of the metallic pyrochlore Bi2Ru2O7 on Y-stabilized ZrO2 substrate. APL MATERIALS, 11(5). doi:10.1063/5.0144905DOI: 10.1063/5.0144905
Cai, H., Chen, R., Bahri, M., Hawkins, C. J., Sonni, M., Daniels, L. M., . . . Rosseinsky, M. J. (2023). Fluorine-Rich Oxyfluoride Spinel-like Li1.25Ni0.625Mn1.125O3F Utilizing Redox-Active Ni and Mn for High Capacity and Improved Cyclability. ACS MATERIALS LETTERS. doi:10.1021/acsmaterialslett.2c00973DOI: 10.1021/acsmaterialslett.2c00973
First Order Methods for Geometric Optimization of Crystal Structures. (Journal article)
Tsili, A., Dyer, M. S., Gusev, V. V., Krysta, P., & Savani, R. (2023). First Order Methods for Geometric Optimization of Crystal Structures.. CoRR, abs/2301.12941.
2022
Hargreaves, C. J. J., Gaultois, M. W. W., Daniels, L. M. M., Watts, E. J. J., Kurlin, V. A. A., Moran, M., . . . Dyer, M. S. S. (2023). A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning. NPJ COMPUTATIONAL MATERIALS, 9(1). doi:10.1038/s41524-022-00951-zDOI: 10.1038/s41524-022-00951-z
Morscher, A., Duff, B. B., Han, G., Daniels, L. M., Dang, Y., Zanella, M., . . . Rosseinsky, M. J. (2022). Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li<sub>6+<i>X</i></sub>P<sub>1-<i>X</i></sub>Si<i><sub>X</sub></i>O<sub>5</sub>Cl. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 144(48), 22178-22192. doi:10.1021/jacs.2c09863DOI: 10.1021/jacs.2c09863
Vriza, A., Sovago, I., Widdowson, D., Kurlin, V., Wood, P. A., & Dyer, M. S. (n.d.). Molecular set transformer: attending to the co-crystals in the Cambridge structural database. Digital Discovery, 1(6), 834-850. doi:10.1039/d2dd00068gDOI: 10.1039/d2dd00068g
Gibson, Q. D., Robertson, C. M., Dyer, M. S., Zanella, M., Surta, T. W., Daniels, L. M., . . . Rosseinsky, M. J. (n.d.). Single crystal growth and properties of the polar ferromagnet Mn1.05Bi with Kagome layers, huge magnetic anisotropy and slow spin dynamics. Physical Review Materials, 6(11). doi:10.1103/physrevmaterials.6.114405DOI: 10.1103/physrevmaterials.6.114405
Fluorine-Rich Oxyfluoride Spinel Li1.25Ni0.625Mn1.125O3F Utilizing Redox-Active Ni and Mn for High Capacity and Improved Cyclability (Preprint)
DOI: 10.26434/chemrxiv-2022-8f3fk
Gibson, Q. D., Newnham, J. A., Dyer, M. S., Robertson, C. M., Zanella, M., Surta, T. W., . . . Rosseinsky, M. J. (2022). Expanding multiple anion superlattice chemistry: Synthesis, structure and properties of Bi<sub>4</sub>O<sub>4</sub>SeBr<sub>2</sub> and Bi<sub>6</sub>O<sub>6</sub>Se<sub>2</sub>Cl<sub>2</sub>. JOURNAL OF SOLID STATE CHEMISTRY, 312. doi:10.1016/j.jssc.2022.123246DOI: 10.1016/j.jssc.2022.123246
Dickson, R. C., Manning, T. D., Raj, E. S., Booth, J. C. S., Rosseinsky, M. J., & Dyer, M. S. (2022). Predicting spinel solid solutions using a random atom substitution method. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 24(26), 16374-16387. doi:10.1039/d2cp02180cDOI: 10.1039/d2cp02180c
Leube, B. T., Collins, C. M., Daniels, L. M., Duff, B. B., Dang, Y., Chen, R., . . . Rosseinsky, M. J. (2022). Cation Disorder and Large Tetragonal Supercell Ordering in the Li-Rich Argyrodite Li<sub>7</sub>Zn<sub>0.5</sub>SiS<sub>6</sub>. CHEMISTRY OF MATERIALS, 34(9), 4073-4087. doi:10.1021/acs.chemmater.2c00320DOI: 10.1021/acs.chemmater.2c00320
Petuya, R., Durdy, S., Antypov, D., Gaultois, M. W., Berry, N. G., Darling, G. R., . . . Rosseinsky, M. J. (2022). Machine-Learning Prediction of Metal-Organic Framework Guest Accessibility from Linker and Metal Chemistry. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 61(9). doi:10.1002/anie.202114573DOI: 10.1002/anie.202114573
Pétuya, R., Durdy, S., Antypov, D., Gaultois, M. W., Berry, N. G., Darling, G. R., . . . Rosseinsky, M. J. (2022). Machine‐Learning Prediction of Metal–Organic Framework Guest Accessibility from Linker and Metal Chemistry. Angewandte Chemie, 134(9). doi:10.1002/ange.202114573DOI: 10.1002/ange.202114573
Element selection for functional materials discovery by integrated machine learning of elemental contributions to properties (Preprint)
DOI: 10.48550/arxiv.2202.01051
2021
Perez, A. J., Vasylenko, A., Surta, T. W., Niu, H., Daniels, L. M., Hardwick, L. J., . . . Rosseinsky, M. J. (2021). Ordered Oxygen Vacancies in the Lithium-Rich Oxide Li<sub>4</sub>CuSbO<sub>5.5</sub>, a Triclinic Structure Type Derived from the Cubic Rocksalt Structure. INORGANIC CHEMISTRY, 60(24), 19022-19034. doi:10.1021/acs.inorgchem.1c02882DOI: 10.1021/acs.inorgchem.1c02882
Sansom, H. C., Buizza, L. R. V., Zanella, M., Gibbon, J. T., Pitcher, M. J., Dyer, M. S., . . . Rosseinsky, M. J. (2021). Chemical Control of the Dimensionality of the Octahedral Network of Solar Absorbers from the Cul-Agl-Bil<sub>3</sub> Phase Space by Synthesis of 3D CuAgBil<sub>5</sub>. INORGANIC CHEMISTRY, 60(23), 18154-18167. doi:10.1021/acs.inorgchem.1c02773DOI: 10.1021/acs.inorgchem.1c02773
Gamon, J., Dyer, M. S., Duff, B. B., Vasylenko, A., Daniels, L. M., Zanella, M., . . . Rosseinsky, M. J. (2021). Li<sub>4.3</sub>AlS<sub>3.3</sub>Cl<sub>0.7</sub>: A Sulfide-Chloride Lithium Ion Conductor with Highly Disordered Structure and Increased Conductivity. CHEMISTRY OF MATERIALS, 33(22), 8733-8744. doi:10.1021/acs.chemmater.1c02751DOI: 10.1021/acs.chemmater.1c02751
Han, G., Vasylenko, A., Neale, A. R., Duff, B. B., Chen, R., Dyer, M. S., . . . Rosseinsky, M. J. (2021). Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143(43), 18216-18232. doi:10.1021/jacs.1c07874DOI: 10.1021/jacs.1c07874
Vasylenko, A., Gamon, J., Duff, B. B., Gusev, V. V., Daniels, L. M., Zanella, M., . . . Rosseinsky, M. J. (2021). Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry. NATURE COMMUNICATIONS, 12(1). doi:10.1038/s41467-021-25343-7DOI: 10.1038/s41467-021-25343-7
Shoko, E., Dang, Y., Han, G., Duff, B. B., Dyer, M. S., Daniels, L. M., . . . Rosseinsky, M. J. (2021). Polymorph of LiAlP<sub>2</sub>O<sub>7</sub>: Combined Computational, Synthetic, Crystallographic, and Ionic Conductivity Study. INORGANIC CHEMISTRY, 60(18), 14083-14095. doi:10.1021/acs.inorgchem.1c01396DOI: 10.1021/acs.inorgchem.1c01396
Gibson, Q. D., Zhao, T., Daniels, L. M., Walker, H. C., Daou, R., Hebert, S., . . . Rosseinsky, M. J. (2021). Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch. SCIENCE, 373(6558), 1017-+. doi:10.1126/science.abh1619DOI: 10.1126/science.abh1619
Collins, C. M., Daniels, L. M., Gibson, Q., Gaultois, M. W., Moran, M., Feetham, R., . . . Rosseinsky, M. J. (2021). Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning. Angewandte Chemie, 133(30), 16593-16601. doi:10.1002/ange.202102073DOI: 10.1002/ange.202102073
Collins, C. M., Daniels, L. M., Gibson, Q., Gaultois, M. W., Moran, M., Feetham, R., . . . Rosseinsky, M. J. (2021). Discovery of a Low Thermal Conductivity Oxide Guided by Probe Structure Prediction and Machine Learning. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 60(30), 16457-16465. doi:10.1002/anie.202102073DOI: 10.1002/anie.202102073
Chemically Controllable Magnetic Transition Temperature and Magneto-Elastic Coupling in MnZnSb Compounds (Journal article)
Murgatroyd, P. A. E., Routledge, K., Durdy, S., Gaultois, M. W., Surta, T. W., Dyer, M. S., . . . Alaria, J. (2021). Chemically Controllable Magnetic Transition Temperature and Magneto-Elastic Coupling in MnZnSb Compounds. ADVANCED FUNCTIONAL MATERIALS, 31(17). doi:10.1002/adfm.202100108DOI: 10.1002/adfm.202100108
Morscher, A., Dyer, M. S., Duff, B. B., Han, G., Gamon, J., Daniels, L. M., . . . Rosseinsky, M. J. (2021). Li<sub>6</sub>SiO<sub>4</sub>Cl<sub>2</sub>: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking. CHEMISTRY OF MATERIALS, 33(6), 2206-2217. doi:10.1021/acs.chemmater.1c00157DOI: 10.1021/acs.chemmater.1c00157
Sansom, H. C., Longo, G., Wright, A. D., Buizza, L. R. V., Mahesh, S., Wenger, B., . . . Rosseinsky, M. J. (2021). Highly Absorbing Lead-Free Semiconductor Cu<sub>2</sub>AgBiI<sub>6</sub> for Photovoltaic Applications from the Quaternary CuI-AgI-BiI<sub>3</sub> Phase Space.. Journal of the American Chemical Society, 143(10), 3983-3992. doi:10.1021/jacs.1c00495DOI: 10.1021/jacs.1c00495
2020
Hargreaves, C. J., Dyer, M. S., Gaultois, M. W., Kurlin, V. A., & Rosseinsky, M. J. (2020). The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions. Chemistry of Materials, 32(24), 10610-10620. doi:10.1021/acs.chemmater.0c03381DOI: 10.1021/acs.chemmater.0c03381
Vriza, A., Canaj, A. B., Vismara, R., Kershaw Cook, L. J., Manning, T. D., Gaultois, M. W., . . . Rosseinsky, M. J. (n.d.). One class classification as a practical approach for accelerating π–π co-crystal discovery. Chemical Science. doi:10.1039/d0sc04263cDOI: 10.1039/d0sc04263c
Antypov, D., Shkurenko, A., Bhatt, P. M., Belmabkhout, Y., Adil, K., Cadiau, A., . . . Dyer, M. S. (2020). Differential guest location by host dynamics enhances propylene/propane separation in a metal-organic framework. Nature Communications, 11(1). doi:10.1038/s41467-020-19207-9DOI: 10.1038/s41467-020-19207-9
Pramudya, Y., Bonakala, S., Antypov, D., Bhatt, P. M., Shkurenko, A., Eddaoudi, M., . . . Dyer, M. S. (2020). High-throughput screening of metal-organic frameworks for kinetic separation of propane and propene. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22(40), 23073-23082. doi:10.1039/d0cp03790gDOI: 10.1039/d0cp03790g
Gamon, J., Perez, A. J., Jones, L. A. H., Zanella, M., Daniels, L. M., Morris, R. E., . . . Rosseinsky, M. J. (n.d.). Na2Fe2OS2, a new earth abundant oxysulphide cathode material for Na-ion batteries. Journal of Materials Chemistry A. doi:10.1039/d0ta07966aDOI: 10.1039/d0ta07966a
Hiley, C. I., Inglis, K. K., Zanella, M., Zhang, J., Manning, T. D., Dyer, M. S., . . . Rosseinsky, M. J. (2020). Crystal Structure and Stoichiometric Composition of Potassium-Intercalated Tetracene. INORGANIC CHEMISTRY, 59(17), 12545-12551. doi:10.1021/acs.inorgchem.0c01635DOI: 10.1021/acs.inorgchem.0c01635
Yan, Y., Carrington, E. J., Petuya, R., Whitehead, G. F. S., Verma, A., Hylton, R. K., . . . Rosseinsky, M. J. (2020). Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 142(35), 14903-14913. doi:10.1021/jacs.0c03853DOI: 10.1021/jacs.0c03853
Sharp, P. M., Dyer, M. S., Darling, G. R., Claridge, J. B., & Rosseinsky, M. J. (2020). Chemically directed structure evolution for crystal structure prediction. Physical Chemistry Chemical Physics, 22(32), 18205-18218. doi:10.1039/d0cp02206cDOI: 10.1039/d0cp02206c
The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions (Journal article)
Hargreaves, C., Dyer, M., Gaultois, M., Kurlin, V., & Rosseinsky, M. J. (2020). The Earth Mover’s Distance as a Metric for the Space of Inorganic Compositions. doi:10.26434/chemrxiv.12777566.v1DOI: 10.26434/chemrxiv.12777566.v1
Pasta, M., Armstrong, D., Brown, Z. L., Bu, J., Castell, M. R., Chen, P., . . . Bruce, P. G. (2020). 2020 roadmap on solid-state batteries. JOURNAL OF PHYSICS-ENERGY, 2(3). doi:10.1088/2515-7655/ab95f4DOI: 10.1088/2515-7655/ab95f4
Gibson, Q. D., Manning, T. D., Zanella, M., Zhao, T., Murgatroyd, P. J., Robertson, C. M., . . . Rosseinsky, M. J. (2020). Modular design via multiple anion chemistry of the high mobility van der Waals semiconductor Bi4O4SeCl2. Journal of the American Chemical Society, 142(02), 847-856. doi:10.1021/jacs.9b09411DOI: 10.1021/jacs.9b09411
2019
Gamon, J., Duff, B. B., Dyer, M. S., Collins, C., Daniels, L. M., Surta, T. W., . . . Rosseinsky, M. J. (2019). Computationally Guided Discovery of the Sulfide Li<sub>3</sub>AlS<sub>3</sub> in the Li-Al-S Phase Field: Structure and Lithium Conductivity. CHEMISTRY OF MATERIALS, 31(23), 9699-9714. doi:10.1021/acs.chemmater.9b03230DOI: 10.1021/acs.chemmater.9b03230
Markovic, I., Hooley, C. A., Clark, O. J., Mazzola, F., Watson, M. D., Riley, J. M., . . . King, P. D. C. (2019). Weyl-like points from band inversions of spin-polarised surface states in NbGeSb. Nature Communications, 10. doi:10.1038/s41467-019-13464-zDOI: 10.1038/s41467-019-13464-z
Sihag, A., Xie, Z. -L., Ho, V. T., Kuo, C. -L., Tseng, F. -G., Dyer, M. S., & Chen, H. -Y. T. (2019). DFT Insights into Comparative Hydrogen Adsorption and Hydrogen Spillover Mechanisms of Pt<sub>4</sub>/Graphene and Pt<sub>4</sub>/Anatase (101) Surfaces. JOURNAL OF PHYSICAL CHEMISTRY C, 123(42), 25618-25627. doi:10.1021/acs.jpcc.9b04419DOI: 10.1021/acs.jpcc.9b04419
Rosseinsky, M. J. (n.d.). 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). Chemistry of Materials. doi:10.1021/acs.chemmater.9b01734DOI: 10.1021/acs.chemmater.9b01734
Taylor, Z. N., Perez, A. J., Coca-Clemente, J. A., Braga, F., Drewett, N. E., Pitcher, M. J., . . . Rosseinsky, M. J. (2019). Stabilization of O-O Bonds by d(0) Cations in Li4+xNi1-xWO6 (0 <= x <= 0.25) Rock Salt Oxides as the Origin of Large Voltage Hysteresis. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 141(18), 7333-7346. doi:10.1021/jacs.8b13633DOI: 10.1021/jacs.8b13633
Carrington, E. J., Petuya, R., Hylton, R. K., Yan, Y., Antypov, D., Darling, G. R., . . . Rosseinsky, M. J. (2019). The Anisotropic Responses of a Flexible Metal-Organic Framework Constructed from Asymmetric Flexible Linkers and Heptanuclear Zinc Carboxylate Secondary Building Units. CRYSTAL GROWTH & DESIGN, 19(10), 5604-5618. doi:10.1021/acs.cgd.9b00558DOI: 10.1021/acs.cgd.9b00558
Stoner, J. L., Murgatroyd, P. A. E., O'Sullivan, M., Dyer, M. S., Manning, T. D., Claridge, J. B., . . . Alaria, J. (2019). Chemical Control of Correlated Metals as Transparent Conductors. Advanced Functional Materials, 29(11). doi:10.1002/adfm.201808609DOI: 10.1002/adfm.201808609
Katsoulidis, A., Antypov, D., Whitehead, G., Carrington, E., Adams, D., Berry, N., . . . Rosseinsky, M. (2019). Chemical control of structure and guest uptake by a conformationally mobile porous material. Nature, 565(7738), 213. doi:10.1038/s41586-018-0820-9DOI: 10.1038/s41586-018-0820-9
2018
Delacotte, C., Whitehead, G. F. S., Pitcher, M. J., Robertson, C. M., Sharp, P. M., Dyer, M. S., . . . Rosseinsky, M. J. (2018). Structure determination and crystal chemistry of large repeat mixed-layer hexaferrites. IUCRJ, 5, 681-698. doi:10.1107/S2052252518011351DOI: 10.1107/S2052252518011351
Applications of crystal structure prediction - inorganic and network structures: general discussion (Journal article)
Burger, V., Claeyssens, F., Davies, D. W., Day, G. M., Dyer, M. S., Hare, A., . . . Zhu, Q. (2018). Applications of crystal structure prediction - inorganic and network structures: general discussion. FARADAY DISCUSSIONS, 211, 613-642. doi:10.1039/c8fd90034eDOI: 10.1039/c8fd90034e
Leube, B. T., Inglis, K. K., Carrington, E. J., Sharp, P. M., Shin, J. F., Neale, A. R., . . . Rosseinsky, M. J. (2018). Lithium Transport in Li<sub>4.4</sub><i>M</i><sub>0.4</sub><i>M</i>′<sub>0.6</sub>S<sub>4</sub> (M = Al<SUP>3+</SUP>, Ga<SUP>3+</SUP>, and <i>M</i>′ = Ge<SUP>4+</SUP>, Sn<SUP>4+</SUP>): Combined Crystallographic, Conductivity, Solid State NMR, and Computational Studies. CHEMISTRY OF MATERIALS, 30(20), 7183-7200. doi:10.1021/acs.chemmater.8b03175DOI: 10.1021/acs.chemmater.8b03175
Gibson, Q. D., Dyer, M. S., Robertson, C., Delacotte, C., Manning, T. D., Pitcher, M. J., . . . Rosseinsky, M. J. (2018). Bi<sub>2+2<i>n</i></sub>O<sub>2+2<i>n</i></sub>Cu<sub>2-δ</sub>Se<sub>2+<i>n</i>-δ</sub>X<sub>δ</sub> (X = CI, Br): A Three-Anion Homologous Series. INORGANIC CHEMISTRY, 57(20), 12489-12500. doi:10.1021/acs.inorgchem.8b01126DOI: 10.1021/acs.inorgchem.8b01126
Structure searching methods: general discussion (Journal article)
Addicoat, M., Adjiman, C. S., Arhangelskis, M., Beran, G. J. O., Brandenburg, J. G., Braun, D. E., . . . Zhu, Q. (2018). Structure searching methods: general discussion. FARADAY DISCUSSIONS, 211, 133-180. doi:10.1039/c8fd90030bDOI: 10.1039/c8fd90030b
Tzitzeklis, C. A., Gupta, J. K., Dyer, M. S., Manning, T. D., Pitcher, M. J., Niu, H. J., . . . Rosseinsky, M. J. (2018). Computational Prediction and Experimental Realization of p-Type Carriers in the Wide-Band-Gap Oxide SrZn<sub>1-<i>x</i></sub>Li<i><sub>x</sub></i>O<sub>2</sub>. INORGANIC CHEMISTRY, 57(19), 11874-11883. doi:10.1021/acs.inorgchem.8b00697DOI: 10.1021/acs.inorgchem.8b00697
A and B site doping of a phonon-glass perovskite oxide thermoelectric (Journal article)
Daniels, L. M., Ling, S., Savvin, S. N., Pitcher, M. J., Dyer, M. S., Claridge, J. B., . . . Rosseinsky, M. J. (2018). A and B site doping of a phonon-glass perovskite oxide thermoelectric. JOURNAL OF MATERIALS CHEMISTRY A, 6(32), 15640-15652. doi:10.1039/c8ta03739fDOI: 10.1039/c8ta03739f
2017
Gibson, Q. D., Dyer, M. S., Whitehead, G. F. S., Alaria, J., Pitcher, M. J., Edwards, H. J., . . . Rosseinsky, M. J. (2017). Bi4O4Cu1.7Se2.7Cl0.3: an intergrowth of BiOCuSe and Bi2O2Se stabilized by the addition of a third anion. Journal of the American Chemical Society, 139(44), 15568-15571. doi:10.1021/jacs.7b06168DOI: 10.1021/jacs.7b06168
Stewart, D. (2017). Stable and Ordered Amide Frameworks Synthesised Under Reversible Conditions which Facilitate Error Checking. Nature Communications, 8. doi:10.1038/s41467-017-01423-5DOI: 10.1038/s41467-017-01423-5
Dunstan, M. T., Schlogelhofer, H. L., Griffin, J. M., Dyer, M. S., Gaultois, M. W., Lau, C. Y., . . . Grey, C. P. (2017). Ion Dynamics and CO<sub>2</sub> Absorption Properties of Nb-, Ta-, and Y-Doped Li<sub>2</sub>ZrO<sub>3</sub> Studied by Solid-State NMR, Thermogravimetry, and First-Principles Calculations. JOURNAL OF PHYSICAL CHEMISTRY C, 121(40), 21877-21886. doi:10.1021/acs.jpcc.7b05888DOI: 10.1021/acs.jpcc.7b05888
Daniels, L. M., Savvin, S. N., Pitcher, M. J., Dyer, M. S., Claridge, J. B., Ling, S., . . . Rosseinsky, M. J. (2017). Phonon-glass electron-crystal behaviour by A site disorder in n-type thermoelectric oxides. ENERGY & ENVIRONMENTAL SCIENCE, 10(9), 1917-1922. doi:10.1039/c7ee01510kDOI: 10.1039/c7ee01510k
Collins, C., Dyer, M. S., Pitcher, M. J., Whitehead, G. F. S., Zanella, M., Mandal, P., . . . Rosseinsky, M. J. (2017). Accelerated discovery of two crystal structure types in a complex inorganic phase field. Nature, 546(7657), 280-284. doi:10.1038/nature22374DOI: 10.1038/nature22374
Denis Romero, F., Pitcher, M. J., Hiley, C. I., Whitehead, G. F. S., Kar, S., Ganin, A. Y., . . . Rosseinsky, M. J. (2017). Redox-controlled potassium intercalation into two polyaromatic hydrocarbon solids. Nature Chemistry, 9, 644-652. doi:10.1038/NCHEM.2765DOI: 10.1038/NCHEM.2765
Sansom, H. C., Whitehead, G. F. S., Dyer, M. S., Zanella, M., Manning, T. D., Pitcher, M. J., . . . Rosseinsky, M. J. (2017). AgBiI<sub>4</sub> as a Lead-Free Solar Absorber with Potential Application in Photovoltaics. CHEMISTRY OF MATERIALS, 29(4), 1538-1549. doi:10.1021/acs.chemmater.6b04135DOI: 10.1021/acs.chemmater.6b04135
2016
La<sub>3</sub>Li<sub>3</sub>W<sub>2</sub>O<sub>12</sub>: Ionic Diffusion in a Perovskite with Lithium on both A- and 6-Sites (Journal article)
Santibanez-Mendieta, A. B., Didier, C., Inglis, K. K., Corkett, A. J., Pitcher, M. J., Zanella, M., . . . Rosseinsky, M. J. (2016). La<sub>3</sub>Li<sub>3</sub>W<sub>2</sub>O<sub>12</sub>: Ionic Diffusion in a Perovskite with Lithium on both A- and 6-Sites. CHEMISTRY OF MATERIALS, 28(21), 7833-7851. doi:10.1021/acs.chemmater.6b03220DOI: 10.1021/acs.chemmater.6b03220
O'Sullivan, M., Hadermann, J., Dyer, M. S., Turner, S., Alaria, J., Manning, T. D., . . . Rosseinsky, M. J. (2016). Interface control by chemical and dimensional matching in an oxide heterostructure. Nature Chemistry, 8, 347-353. doi:10.1038/NCHEM.2441DOI: 10.1038/NCHEM.2441
2015
Enciso-Maldonado, L., Dyer, M. S., Jones, M. D., Li, M., Payne, J. L., Pitcher, M. J., . . . Rosseinsky, M. J. (2015). Computational Identification and Experimental Realization of Lithium Vacancy Introduction into the Olivine LiMgPO<sub>4</sub>. CHEMISTRY OF MATERIALS, 27(6), 2074-2091. doi:10.1021/cm504518qDOI: 10.1021/cm504518q
1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces (Journal article)
Temprano, I., Thomas, G., Haq, S., Dyer, M. S., Latter, E. G., Darling, G. R., . . . Raval, R. (2015). 1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces. JOURNAL OF CHEMICAL PHYSICS, 142(10). doi:10.1063/1.4907721DOI: 10.1063/1.4907721
Pitcher, M., Mandal, P., Dyer, M., Alaria, J., Borisov, P., Niu, H., . . . Rosseinsky, M. (2015). Tilt engineering of spontaneous polarization and magnetization above 300 K in a bulk layered perovskite. Science, 347(6220), 420-424. doi:10.1126/science.1262118DOI: 10.1126/science.1262118
2014
Kiss, B., Didier, C., Johnson, T., Manning, T. D., Dyer, M. S., Cowan, A. J., . . . Rosseinsky, M. J. (2014). Photocatalytic Water Oxidation by a Pyrochlore Oxide upon Irradiation with Visible Light: Rhodium Substitution Into Yttrium Titanate. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 53(52), 14480-14484. doi:10.1002/anie.201407179DOI: 10.1002/anie.201407179
Reported and predicted structures of Ba(Co,Nb)<sub>1-δ</sub>O<sub>3</sub> hexagonal perovskite phases (Journal article)
Bradley, K. A., Collins, C., Dyer, M. S., Claridge, J. B., Darling, G. R., & Rosseinsky, M. J. (2014). Reported and predicted structures of Ba(Co,Nb)<sub>1-δ</sub>O<sub>3</sub> hexagonal perovskite phases. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16(39), 21073-21081. doi:10.1039/c4cp01542hDOI: 10.1039/c4cp01542h
Computational prediction and experimental confirmation of B-site doping in YBa<sub>2</sub>Fe<sub>3</sub>O<sub>8</sub> (Journal article)
Collins, C., Dyer, M. S., Demont, A., Chater, P. A., Thomas, M. F., Darling, G. R., . . . Rosseinsky, M. J. (2014). Computational prediction and experimental confirmation of B-site doping in YBa<sub>2</sub>Fe<sub>3</sub>O<sub>8</sub>. CHEMICAL SCIENCE, 5(4), 1493-1505. doi:10.1039/c3sc52734dDOI: 10.1039/c3sc52734d
Alaria, J., Borisov, P., Dyer, M. S., Manning, T. D., Lepadatu, S., Cain, M. G., . . . Rosseinsky, M. J. (2014). Engineered spatial inversion symmetry breaking inan oxide heterostructure built from isosymmetricroom-temperature magnetically orderedcomponents†. Chemical Science, 5(4), 1599-1610. doi:10.1039/C3SC53248HDOI: 10.1039/C3SC53248H
2013
Dyer, M. S., Collins, C., Hodgeman, D., Chater, P. A., Demont, A., Romani, S., . . . Rosseinsky, M. J. (2013). Computationally Assisted Identification of Functional Inorganic Materials. SCIENCE, 340(6134), 847-852. doi:10.1126/science.1226558DOI: 10.1126/science.1226558
2012
Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions (Journal article)
Hanke, F., Dyer, M. S., Bjork, J., & Persson, M. (2012). Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions. JOURNAL OF PHYSICS-CONDENSED MATTER, 24(42). doi:10.1088/0953-8984/24/42/424217DOI: 10.1088/0953-8984/24/42/424217
Artificial Construction of the Layered Ruddlesden-Popper Manganite La<sub>2</sub>Sr<sub>2</sub>Mn<sub>3</sub>O<sub>10</sub> by Reflection High Energy Electron Diffraction Monitored Pulsed Laser Deposition (Journal article)
Palgrave, R. G., Borisov, P., Dyer, M. S., McMitchell, S. R. C., Darling, G. R., Claridge, J. B., . . . Rosseinsky, M. J. (2012). Artificial Construction of the Layered Ruddlesden-Popper Manganite La<sub>2</sub>Sr<sub>2</sub>Mn<sub>3</sub>O<sub>10</sub> by Reflection High Energy Electron Diffraction Monitored Pulsed Laser Deposition. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 134(18), 7700-7714. doi:10.1021/ja211138xDOI: 10.1021/ja211138x
Chemical Bonding and Atomic Structure in Y<sub>2</sub>O<sub>3</sub>:ZrO<i>2</i>-SrTiO<i>3</i> Layered Heterostructures (Journal article)
Dyer, M. S., Darling, G. R., Claridge, J. B., & Rosseinsky, M. J. (2012). Chemical Bonding and Atomic Structure in Y<sub>2</sub>O<sub>3</sub>:ZrO<i>2</i>-SrTiO<i>3</i> Layered Heterostructures. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 51(14), 3418-3422. doi:10.1002/anie.201108068DOI: 10.1002/anie.201108068
2011
Tailoring Homochirality at Surfaces: Going Beyond Molecular Handedness (Journal article)
Forster, M., Dyer, M. S., Persson, M., & Raval, R. (2011). Tailoring Homochirality at Surfaces: Going Beyond Molecular Handedness. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 133(40), 15992-16000. doi:10.1021/ja202986sDOI: 10.1021/ja202986s
Clean Coupling of Unfunctionalized Porphyrins at Surfaces To Give Highly Oriented Organometallic Oligomers (Journal article)
Haq, S., Hanke, F., Dyer, M. S., Persson, M., Iavicoli, P., Amabilino, D. B., & Raval, R. (2011). Clean Coupling of Unfunctionalized Porphyrins at Surfaces To Give Highly Oriented Organometallic Oligomers. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 133(31), 12031-12039. doi:10.1021/ja201389uDOI: 10.1021/ja201389u
Understanding the Interaction of the Porphyrin Macrocycle to Reactive Metal Substrates: Structure, Bonding, and Adatom Capture (Journal article)
Dyer, M. S., Robin, A., Haq, S., Raval, R., Persson, M., & Klimes, J. (2011). Understanding the Interaction of the Porphyrin Macrocycle to Reactive Metal Substrates: Structure, Bonding, and Adatom Capture. ACS NANO, 5(3), 1831-1838. doi:10.1021/nn102610kDOI: 10.1021/nn102610k
Assembly of Chiral Amino-Acids at Surfaces from a Single Molecule Perspective: Proline on Cu(110) (Journal article)
Forster, M., Dyer, M. S., Persson, M., & Raval, R. (2011). Assembly of Chiral Amino-Acids at Surfaces from a Single Molecule Perspective: Proline on Cu(110). TOPICS IN CATALYSIS, 54(1-4), 13-19. doi:10.1007/s11244-011-9634-9DOI: 10.1007/s11244-011-9634-9
Mapping Complex Chiral Adlayers: A Truly Random 2-D Solid Solution of (<i>RS</i>)-3-Pyrroline-2-Carboxylic Acid on Cu(110) (Journal article)
Forster, M., Dyer, M. S., Barrett, S. D., Persson, M., & Raval, R. (2011). Mapping Complex Chiral Adlayers: A Truly Random 2-D Solid Solution of (<i>RS</i>)-3-Pyrroline-2-Carboxylic Acid on Cu(110). JOURNAL OF PHYSICAL CHEMISTRY C, 115(4), 1180-1185. doi:10.1021/jp1065314DOI: 10.1021/jp1065314
Clark, J. H., Dyer, M. S., Palgrave, R. G., Ireland, C. P., Darwent, J. R., Claridge, J. B., & Rosseinsky, M. J. (2011). Visible Light Photo-oxidation of Model Pollutants Using CaCu<sub>3</sub>Ti<sub>4</sub>O<sub>12</sub>: An Experimental and Theoretical Study of Optical Properties, Electronic Structure, and Selectivity. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 133(4), 1016-1032. doi:10.1021/ja1090832DOI: 10.1021/ja1090832
Visible light photo-oxidation of model pollutants using CaCu <inf>3</inf>Ti<inf>4</inf>O<inf>12</inf>: An experimental and theoretical study of optical properties, electronic structure, and selectivity (Journal article)
Clark, J. H., Dyer, M. S., Palgrave, R. G., Ireland, C. P., Darwent, J. R., Claridge, J. B., & Rosseinsky, M. J. (2011). Visible light photo-oxidation of model pollutants using CaCu <inf>3</inf>Ti<inf>4</inf>O<inf>12</inf>: An experimental and theoretical study of optical properties, electronic structure, and selectivity. Journal of the American Chemical Society, 133(4), 1016-1032. doi:10.1021/jal090832DOI: 10.1021/jal090832
2010
Reversible Bond Formation in a Gold-Atom-Organic-Molecule Complex as a Molecular Switch (Journal article)
Mohn, F., Repp, J., Gross, L., Meyer, G., Dyer, M. S., & Persson, M. (2010). Reversible Bond Formation in a Gold-Atom-Organic-Molecule Complex as a Molecular Switch. PHYSICAL REVIEW LETTERS, 105(26). doi:10.1103/PhysRevLett.105.266102DOI: 10.1103/PhysRevLett.105.266102
Demont, A., Dyer, M. S., Sayers, R., Thomas, M. F., Tsiamtsouri, M., Niu, H. N., . . . Rosseinsky, M. J. (2010). Stabilization of a Complex Perovskite Superstructure under Ambient Conditions: Influence of Cation Composition and Ordering, and Evaluation as an SOFC Cathode. CHEMISTRY OF MATERIALS, 22(24), 6598-6615. doi:10.1021/cm102475nDOI: 10.1021/cm102475n
Unexpected Deformations Induced by Surface Interaction and Chiral Self-Assembly of Co<SUP>II</SUP>-Tetraphenylporphyrin (Co-TPP) Adsorbed on Cu(110): A Combined STM and Periodic DFT Study (Journal article)
Donovan, P., Robin, A., Dyer, M. S., Persson, M., & Raval, R. (2010). Unexpected Deformations Induced by Surface Interaction and Chiral Self-Assembly of Co<SUP>II</SUP>-Tetraphenylporphyrin (Co-TPP) Adsorbed on Cu(110): A Combined STM and Periodic DFT Study. CHEMISTRY-A EUROPEAN JOURNAL, 16(38), 11641-11652. doi:10.1002/chem.201001776DOI: 10.1002/chem.201001776
A Racemic Conglomerate Nipped in the Bud: A Molecular View of Enantiomer Cross-Inhibition of Conglomerate Nucleation at a Surface (Journal article)
Robin, A., Iavicoli, P., Wurst, K., Dyer, M. S., Haq, S., Amabilino, D. B., & Raval, R. (2010). A Racemic Conglomerate Nipped in the Bud: A Molecular View of Enantiomer Cross-Inhibition of Conglomerate Nucleation at a Surface. CRYSTAL GROWTH & DESIGN, 10(10), 4516-4525. doi:10.1021/cg100806wDOI: 10.1021/cg100806w
The nature of the observed free-electron-like state in a PTCDA monolayer on Ag(111) (Journal article)
Dyer, M. S., & Persson, M. (2010). The nature of the observed free-electron-like state in a PTCDA monolayer on Ag(111). NEW JOURNAL OF PHYSICS, 12. doi:10.1088/1367-2630/12/6/063014DOI: 10.1088/1367-2630/12/6/063014
STM fingerprint of molecule-adatom interactions in a self-assembled metal-organic surface coordination network on Cu(111) (Journal article)
Bjork, J., Matena, M., Dyer, M. S., Enache, M., Lobo-Checa, J., Gade, L. H., . . . Persson, M. (2010). STM fingerprint of molecule-adatom interactions in a self-assembled metal-organic surface coordination network on Cu(111). PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12(31), 8815-8821. doi:10.1039/c003660aDOI: 10.1039/c003660a
2D Random Organization of Racemic Amino Acid Mono layers Driven by Nanoscale Adsorption Footprints: Pro line on Cu(110) (Journal article)
Forster, M., Dyer, M. S., Persson, M., & Raval, R. (2010). 2D Random Organization of Racemic Amino Acid Mono layers Driven by Nanoscale Adsorption Footprints: Pro line on Cu(110). ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 49(13), 2344-2348. doi:10.1002/anie.200904979DOI: 10.1002/anie.200904979
2D random organization of racemic amino acid monolayers driven by nanoscale adsorption footprints: Proline on Cu(110) (Journal article)
Forster, M., Dyer, M. S., Persson, M., & Raval, R. (2010). 2D random organization of racemic amino acid monolayers driven by nanoscale adsorption footprints: Proline on Cu(110). Angewandte Chemie - International Edition, 49(13), 2344-2348. doi:10.1002/anie.200904979DOI: 10.1002/anie.200904979
Aggregation and Contingent Metal/Surface Reactivity of 1,3,8,10-Tetraazaperopyrene (TAPP) on Cu(111) (Journal article)
Matena, M., Stoehr, M., Riehm, T., Bjoerk, J., Martens, S., Dyer, M. S., . . . Gade, L. H. (2010). Aggregation and Contingent Metal/Surface Reactivity of 1,3,8,10-Tetraazaperopyrene (TAPP) on Cu(111). CHEMISTRY-A EUROPEAN JOURNAL, 16(7), 2079-2091. doi:10.1002/chem.200902596DOI: 10.1002/chem.200902596
2009
Tailoring Bicomponent Supramolecular Nanoporous Networks: Phase Segregation, Polymorphism, and Glasses at the Solid-Liquid Interface (Journal article)
Palma, C. -A., Bjork, J., Bonini, M., Dyer, M. S., Llanes-Pallas, A., Bonifazi, D., . . . Samori, P. (2009). Tailoring Bicomponent Supramolecular Nanoporous Networks: Phase Segregation, Polymorphism, and Glasses at the Solid-Liquid Interface. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(36), 13062-13071. doi:10.1021/ja9032428DOI: 10.1021/ja9032428
Adsorption and Organization of the Organic Radical 3-Carboxyproxyl on a Cu(110) Surface: A Combined STM, RAIRS, and DFT Study (Journal article)
Robin, A., Marnell, L., Bjork, J., Dyer, M. S., Bermudez, P. S., Haq, S., . . . Raval, R. (2009). Adsorption and Organization of the Organic Radical 3-Carboxyproxyl on a Cu(110) Surface: A Combined STM, RAIRS, and DFT Study. JOURNAL OF PHYSICAL CHEMISTRY C, 113(30), 13223-13230. doi:10.1021/jp9017579DOI: 10.1021/jp9017579
Probing Conformers and Adsorption Footprints at the Single-Molecule Level in a Highly Organized Amino Acid Assembly of (S)-Proline on Cu(110) (Journal article)
Forster, M., Dyer, M. S., Persson, M., & Raval, R. (2009). Probing Conformers and Adsorption Footprints at the Single-Molecule Level in a Highly Organized Amino Acid Assembly of (S)-Proline on Cu(110). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131(29), 10173-10181. doi:10.1021/ja9020364DOI: 10.1021/ja9020364
2008
The nature of highly anisotropic free-electron-like states in a glycinate monolayer on Cu(100) (Journal article)
Dyer, M. S., & Persson, M. (2008). The nature of highly anisotropic free-electron-like states in a glycinate monolayer on Cu(100). JOURNAL OF PHYSICS-CONDENSED MATTER, 20(31). doi:10.1088/0953-8984/20/31/312002DOI: 10.1088/0953-8984/20/31/312002
The nature of highly anisotropic free-electron-like states in a glycinate monolayer on Cu(100) (Journal article)
Dyer, M., & Persson, M. (2008). The nature of highly anisotropic free-electron-like states in a glycinate monolayer on Cu(100). Journal of Physics: Condensed Matter, 20, 312002.
2007
Nano-architectures by covalent assembly of molecular building blocks (Journal article)
Grill, L., Dyer, M., Lafferentz, L., Persson, M., Peters, M. V., & Hecht, S. (2007). Nano-architectures by covalent assembly of molecular building blocks. NATURE NANOTECHNOLOGY, 2(11), 687-691. doi:10.1038/nnano.2007.346DOI: 10.1038/nnano.2007.346
2006
Using Quantum Mechanics to Investigate the Location and Diffusion of Hydrogen and its Isotopes in Metals (Thesis / Dissertation)
Dyer, M. S. (2006). Using Quantum Mechanics to Investigate the Location and Diffusion of Hydrogen and its Isotopes in Metals. (PhD Thesis, University of Cambridge).
2005
Quantum delocalization of hydrogen in the Li<sub>2</sub>NH crystal (Journal article)
Zhang, C. J., Dyer, M., & Alavi, A. (2005). Quantum delocalization of hydrogen in the Li<sub>2</sub>NH crystal. JOURNAL OF PHYSICAL CHEMISTRY B, 109(47), 22089-22091. doi:10.1021/jp054961hDOI: 10.1021/jp054961h
Quantum diffusion of hydrogen and isotopes in metals (Journal article)
Dyer, M., Zhang, C. J., & Alavi, A. (2005). Quantum diffusion of hydrogen and isotopes in metals. CHEMPHYSCHEM, 6(9), 1711-1715. doi:10.1002/cphc.200400638DOI: 10.1002/cphc.200400638