Solid state chemistry

Selected publications

Thermoelectric materials

• S. Mukherjee, A.V. Powell, D.J. Voneshen and P. Vaqueiro, Talnakhite: a potential n-type thermoelectric sulphide with low thermal conductivity, J. Solid State Chem., 314, 123425 (2022).

• S. Tippireddy, F. Azough, Vikram, F. Towers Tompkins, A. Bhui, R. Freer, R. Grau-Crespo, K. Biswas, P. Vaqueiro, and A. V. Powell, Tin-Substituted Chalcopyrite: an n-Type Sulfide with Enhanced Thermoelectric Performance, Chem. Mater., 34, 5860-5873 (2022).

• R. Freer, D. Ekren, T. Ghosh, K. Biswas, P. Qiu, S. Wan, L. Chen, S. Han, C. Fu, T. Zhu, A. K. M. A. Shawon, A. Zevalkink, K. Imasato, G. J. Snyder, M. Ozen, K. Saglik, U. Aydemir, R. Cardoso-Gil, E. Svanidze, R. Funahashi, A. V. Powell, S. Mukherjee, S. Tippireddy, P. Vaqueiro, F. Gascoin, T. Kyratsi, P. Sauerschnig, and T. Mori, Key Properties of Inorganic Thermoelectric Materials –Tables (Version 1), J. Phys. Energy TOPICAL REVIEW, 4 022002 (2022).

• A. Aldowiesh, P. Mangelis, P. Vaqueiro and A. V Powell, The Impact of a Magnetic Ion on the Thermoelectric Properties of Copper-rich Quaternary Selenides, J. Phys. Energy 4 034001 (2022).

• K. Maji, P. Lemoine, B. Zhang, X. Zhou, V. Carnevali, C. Candolfi, B. Raveau, R. Al Rahal Al Orabi, M. Fornari, P. Vaqueiro, M. Pasturel, C. Prestipino, D. Menut and E. Guilmeau, A tunable structural family with ultralow thermal conductivity: copper deficient Cu_1-x□_xPb_1-x Bi_1+xS₃, J. Am. Chem. Soc., 144, 1846-1860 (2022).

• P. Vaqueiro, Synthesis and property measurements of thermoelectric materials, Chapter 1 in Inorganic Thermoelectric Materials: From Fundamental Concepts to Materials Design, RSC Inorganic Materials Series, pages 1-52 (2021).

• P. Mangelis, P. Vaqueiro, R. I. Smith and A. V. Powell, The onset of copper-ion mobility and the electronic transitions in the kesterite, Cu₂ZnGeSe₄, J. Mater. Chem A, 9, 27493-27502 (2021).

• A. V. Powell, High-performance sulfide thermoelectric materials, in Thermoelectric Energy Conversion Theories and Mechanisms, Materials, Devices, and Applications Woodhead Publishing Series in Electronic and Optical Materials 2021, Pages 183-196.

• S. D. N. Luu, A. R. Supka ,V. H. Nguyen, D.-V. N.Vo, N. Y. Hung, K. T. Wojciechowski, M. Fornari and P. Vaqueiro, Origin of Low Thermal Conductivity in In₄Se₃, ACS Appl. Energy Mater., 3, 12549–12556 (2020).

• S. O. Long, A. V. Powell, S. Hull, F. Orlandi, C. C. Tang, A. R. Supka, M. Fornari and P. Vaqueiro, Jahn-Teller driven electronic instability in thermoelectric tetrahedrite, Advanced Functional Materials, 30, 1909409 (2020).

• P. Mangelis, P. Vaqueiro and A. V. Powell, Improved thermoelectric performance through double substitution in shandite-type mixed-metal sulphides, ACS Appl. Energy Mater., 3, 2168-2174 (2020).

• R. Freer and A. V. Powell, Realising the potential of thermoelectric technology: a Roadmap , J. Mater. Chem. C, 8, 441-463 (2020).

• I. Siloi, P. Gopal, S. Curtarolo, M.B. Nardelli, P. Vaqueiro and M. Fornari, Thermoelectric Properties of Minerals with the Mawsonite Structure, ACS Appl. Energy Mater., 2, 8068-8078 (2019). 

• A. V. Powell, Recent developments in Earth-abundant copper-sulfide thermoelectric materials,  J. Appl. Phys., 126, 100901, (2019).

• B. Beltran-Pitarch, J. Prado-Gonjal, A.V. Powell, J.F. Martinez-Julian J. Garcia-Canadas, Complete Characterization of Thermoelectric Materials by Impedance Spectroscopy, J. Phys. Chem. C, 123, 12608, (2019).

• P. Mangelis, A. Aziz, I. da Silva, R. Grau-Crespo, P. Vaqueiro and A. V. Powell, Understanding the Origin of Disorder in Kesterite-type Chalcogenides A₂ZnBQ₄ (A = Cu, Ag; B = Sn, Ge; Q = S, Se): the Influence of Inter-layer Interactions, Physical Chemistry Chemical Physics, 21, 19311-19317 (2019).

• G. P. L. Guélou, A. V. Powell, R. I. Smith and P. Vaqueiro,The impact of manganese substitution on the structure and properties of tetrahedrite, J. Appl. Phys., 126, 045107 (2019).

• B. Beltran-Pitarch, J. Prado-Gonjal, A. V.Powell and J. Garcıa-Canadas, Experimental conditions required for accurate measurements of electrical resistivity, thermal conductivity, and dimensionless figure of merit (ZT) using Harman and impedance spectroscopy methods, J. Appl. Phys., 125, 025111 (2019).

• J. Prado-Gonjal, M. Phillips, P. Vaqueiro, G. Min and A. V. Powell, Skutterudite Thermoelectric Modules with High Volume-Power-Density: Scalability and Reproducibility, ACS Applied Energy Materials, 1, 6609–6618 (2018).

• B. Beltran-Pitarch, J. Prado-Gonjal, A. V.Powell, P. Ziolkowski and J. Garcıa-Canadas,  Thermal conductivity, electrical resistivity, and dimensionless figure of merit (ZT) determination of thermoelectric materials by impedance spectroscopy up to 250 °C, J. Appl. Phys. 124, 025105 (2018). OPEN ACCESS

• S. O. Long, P. Vaqueiro, A. V. Powell and S. Hull, High thermoelectric performance of bornite through control of the Cu(II) content and vacancy concentration, Chem. Mater., 30, 456–464 (2018).

• P. Vaqueiro, G. Guélou, A. Kaltzoglou, R. I. Smith, T. Barbier, E. Guilmeau and A. V. Powell, The influence of mobile copper ions on the glass-like thermal conductivity of copper-rich tetrahedrites, Chem. Mater., 29, 4080–4090 (2017).

• P. Mangelis, P. Vaqueiro, J.-C. Jumas, I. da Silva, R. I Smith, A. V. Powell The effect of electron and hole doping on the thermoelectric properties of shandite-type Co₃Sn₂S₂, J. Solid State Chem., 251, 204-210 (2017).

• J. Prado-Gonjal, P. Vaqueiro, Chris Nuttall, Robert Potter, Anthony V. Powell. Enhancing the thermoelectric properties of single and double filled p-type skutterudites synthesized by an up-scaled ball-milling process, J. Alloys Comp., 695, 3598–3604 (2017).

• A. V. Powell and P. Vaqueiro, Chalcogenide Thermoelectric Materials, in Thermoelectric Materials and Devices, RSC (2017).

• S. D. N. Luu and P. Vaqueiro, Layered oxychalcogenides: structural chemistry and thermoelectric properties, J. Materiomics (Special Issue on "Advances in Thermoelectric Research"), 2, 131-140, (2016) . OPEN ACCESS

• G. Guélou, P. Vaqueiro, J. Prado-Gonjal, T. Barbier, S. Hébert, E. Guilmeau, W. Kockelmann and A. V. Powell, The Impact of Charge Transfer and Structural Disorder on the Thermoelectric Properties of Cobalt Intercalated TiS₂,J. Mater. Chem. C,4, 1871-1880 (2016).OPEN ACCESS

• A. Aziz, P. Mangelis, P. Vaqueiro, A. V. Powell, R. Grau-Crespo, Electron and phonon transport in shandite-structured Ni₃Sn₂S₂, Phys. Rev. B, 94, 165131 (2016).

• T. Barbier, P. Lemoine, S. Martinet, M. Eriksson, M. Gilmas, E. Hug, G. Guélou, P. Vaqueiro, A. V. Powell, E. Guilmeau, Up-scaled synthesis process of sulphur-based thermoelectric materials, RSC Advances, 6, 10044-10053 (2016).

• C. Bourgès, T. Barbier, G. Guélou, P. Vaqueiro, A. V. Powell, O. I. Lebedev, N. Barrier, Y. Kinemuchi and E. Guilmeau, Thermoelectric properties of TiS₂ mechanically alloyed compounds, J. Eur. Ceram. Soc, 36, 1183-1189 (2016).

• T. Barbier, S. Rollin-Martinet, P. Lemoine, F. Gascoin, A. Kaltzoglou, P. Vaqueiro, A, V. Powell, and E. Guilmeau, Thermoelectric materials: a new rapid synthesis process for non-toxic and high-performance tetrahedrite compounds, J. Am. Ceram. Soc., 99, 51–56 (2016).

• P. Vaqueiro, R. A. R. Al Orabi, S. D. N. Luu, G. Guélou, A. V. Powell, R. I. Smith, J.-P. Song, D. Wee and M. Fornari, The role of copper in the thermal conductivity of thermoelectric oxychalcogenides: do lone pairs matter?, Phys. Chem. Chem. Phys., 17, 31735–31740 (2015). OPEN ACCESS

• G. Guélou, A.V. Powell and P. Vaqueiro, Ball milling as an effective route for the preparation of doped bornite: synthesis, stability and thermoelectric properties, J. Mater. Chem. C (Special issue on “The Chemistry of Thermoelectric Materials”), 3, 10624–10629 (2015).

• J. Corps, P. Vaqueiro, A. Aziz, R. Grau-Crespo, W. Kocklemann, J.-C. Jumas, A. V. Powell, Interplay of metal-atom ordering, Fermi level tuning and thermoelectric properties in cobalt shandites Co₃M₂S₂ (M = Sn, In), Chem. Mater., 27, 3946–3956 (2015).

• S. D. N. Luu and P. Vaqueiro, Synthesis, characterisation and thermoelectric properties of the oxytelluride Bi₂O₂Te, J. Solid State Chem., 226, 219-223 (2015).

• T. Barbier, P. Lemoine, S. Gascoin, O. I. Lebedev, A. Kaltzoglou, P. Vaqueiro, A. V. Powell, R. I. Smith and E. Guilmeau, Structural stability of the synthetic thermoelectric ternary and nickel-substituted tetrahedrite phases, J. Alloys Comp. 634, 253–262 (2015).

• M. Beaumale, T. Barbier, Y. Breard, G. Guelou, A. V. Powell, P. Vaqueiro and E. Guilmeau, Electron doping and phonon scattering in Ti_1+xS₂ thermoelectric compounds, Acta Materialia, 78, 86-92 (2014).

• S.D.N. Luu and P.Vaqueiro, Thermoelectric properties of BiOCu_1-xM_xSe (M = Cd and Zn), Semicond. Sci. Technol., 29, 064002 (2014).

• S. D. N. Luu and P. Vaqueiro, Synthesis, structural characterisation and thermoelectric properties of Bi_1-xPb_xOCuSe, J. Mater. Chem. A, 1, 12270–12275 (2013).

•  J. Corps, P. Vaqueiro and A.V. Powell, Co₃Sn₂S₂ (M = Sn, In) shandites as tellurium-free thermoelectrics, J. Mater. Chem. A, 1, 6554-6557 (2013).

•  P. Vaqueiro , G. Guelou , M. Stec , E. Guilmeau and A. V. Powell, A copper-containing oxytelluride as a promising thermoelectric material for waste heat recovery. J. Mater. Chem. A, 1, 520-523 (2013).

•  A. Kaltzoglou, A. V. Powell, K. S. Knight, P. Vaqueiro High-Temperature Order-Disorder Transitions in the Skutterudites CoGe_1.5Q_1.5 (Q = S, Te), J. Solid State Chem., 198, 525-531 (2013).

•  J. Garcia-Cañadas, A.V. Powell, A. Kaltzoglou, P. Vaqueiro and G. Min, Fabrication and evaluation of a skutterudite-based thermoelectric module for high-temperature applications, J. Electron. Mater., 42, 1369-1374 (2013).

• A.V. Powell, A. Kaltzoglou, P. Vaqueiro, G. Min, J. Garcia-Cañadas, R.K. Stobart, J. Li, G. Dong and A. Wijewardane, Thermoelectric exhaust-gas energy recovery: an integrated approach, AIP Conf. Proc., 1449, 505-508 (2012).

•  P Vaqueiro and A V Powell, Recent developments in nanostructured materials for high-performance thermoelectrics, J. Mater. Chem., 20, 9577-9584 (2010).

Photovoltaic materials

• P. Mangelis, P. Vaqueiro, R. I. Smith and A. V. Powell, The onset of copper-ion mobility and the electronic transitions in the kesterite, Cu₂ZnGeSe₄, J. Mater. Chem A, 9, 27493-27502 (2021).

• Y. Cai, A. M. Chippindale and P. Vaqueiro, Synthesis and characterisation of iodobismuthates containing 1,4-diazabicyclo[2.2.2]octane, J. Chem. Crystallogr (2022). https://doi.org/10.1007/s10870-022-00957-x

• Z. James, Y. Cai and P. Vaqueiro, Crystal structure of (C₉H₁₇N₂)₃[Bi₂I₉], Acta Cryst. E77, 899-902 (2021).

• Y. Cai, A. M. Chippindale, R. J. Curry and P. Vaqueiro, Multiple roles of 1,4-diazabicyclo[2.2.2]octane in the solvothermal synthesis of iodobismuthates, Inorg. Chem., 60, 5333-5342 (2021) .

• S. Z. M. Murtaza and P. Vaqueiro, Rapid synthesis of chalcohalides by ball milling: preparation and characterisation of BiSI and BiSeI, J. Solid State Chem., 291, 121625 (2020).

• P. Mangelis, A. Aziz, I. da Silva, R. Grau-Crespo, P. Vaqueiro and A. V. Powell, Understanding the Origin of Disorder in Kesterite-type Chalcogenides A₂ZnBQ₄ (A = Cu, Ag; B = Sn, Ge; Q = S, Se): the Influence of Inter-layer Interactions, Physical Chemistry Chemical Physics, 21, 19311-19317 (2019).

Solvothermal synthesis of chalcogenides

• J. D. Lampkin, A. V. Powell, A. M. Chippindale, Solvothermal synthesis of a new 3-D mixed-metal sulfide framework, (H_1.33tren)[In_2.67Sb_1.33S₈]·tren, J. Solid State Chem., 243, 44-49 (2016).

• S. J. Ewing and P. Vaqueiro Structural complexity in indium selenides prepared using bicyclic amines as structure-directing agents, Dalton Trans., 44, 1592-1600 (2015). OPEN ACCESS.

•  S J Ewing, A V Powell and P Vaqueiro, [C₇H₁₀N][In₃Se₅]: A Layered Selenide with Two Indium Coordination Environments, Inorg. Chem., 51, 7404–7409 (2012).

•  A V Powell, P Leyva-Bailen, P Vaqueiro and R D Sanchez, Co₃(SO₄)₃(OH)₂[enH₂]:A New S=3/2 Kagome-Type Layered Sulfate with a Unique Connectivity, Chem. Mater., 21, 4102-4104 (2009).

•  P Vaqueiro, A three-dimensional open-framework indium selenide: [C₇H₁₀N][In₉Se₁₄], Inorg. Chem., 47, 20-22 (2008).

•  A V Powell, R J E Lees, A M Chippindale, Macrocyclic amines as structure-directing agents for the synthesis of three-dimensional antimony-sulfide frameworks, Inorg. Chem., 45, 4261-4267 (2006).

•  P. Vaqueiro, A M Chippindale, A V Powell, [Co(en)₃][Sb₁₂S₁₉]: A new antimony sulfide with a zeolite-like structure containing one-dimensional channels, Inorg. Chem., 43, 7963-7965 (2004). 

MOFs and hybrid inorganic-organic materials

• J. Beamish-Cook, K. Shankland, C. A. Murray and P. Vaqueiro, Insights into the mechanochemical synthesis of MOF-74, Crystal Growth & Design, 21, 3047–3055 (2021).

• S. Makin and P. Vaqueiro, A discrete ligand-free T3 supertetrahedral cluster of gallium sulfide, Molecules, 26(17), 5415 (2021).

• P. Vaqueiro, S. Makin, Y. Tong and S. J. Ewing, A new class of hybrid super-supertetrahedral cluster and its assembly into a five-fold interpenetrating network, Dalton Trans., 46, 3816 – 3819 (2017).

• S. J. Ewing and P. Vaqueiro Synthesis and characterisation of inorganic-organic hybrid gallium selenides, Inorg. Chem., 53, 8845–8847 (2014).

•  P Vaqueiro, Hybrid materials through linkage of chalcogenide tetrahedral clusters, Dalton Trans., 39, 5965-5972 (2010).

•  P Vaqueiro, M L Romero, B C Rowan, B S Richards, Arrays of Chiral Nanotubes and a Layered Coordination Polymer Containing Gallium-Sulfide Supertetrahedral Clusters, Chem. Eur. J., 16, 4462-4465 (2010).

•  P Vaqueiro and M L Romero, Gallium-sulfide supertetrahedral clusters as building blocks of covalent organic-inorganic networks, J. Am. Chem. Soc., 130, 9630-9631 (2008).

Transition-metal sulphides

• P Vaqueiro, I Szkoda, R D Sanchez and A V Powell, Ternary Erbium Chromium Sulfides: Structural Relationships and Magnetic Properties, Inorg. Chem., 48, 1284-1292 (2009).

•  T E Engin, A V Powell, S Hull, Structural, magnetic, and electronic properties of V_xCr_2-xS₃ (0 < x < 2), Chem. Mater., 20, 2039-2048 (2008).

•  A V Powell, A McDowall, I Szkoda, K S Knight, B J Kennedy, T Vogt, Cation substitution in defect thiospinels: Structural and magnetic properties of GaV_4-xMo_xS8 (0 ≤ x ≤ 4), Chem. Mater., 19, 5035-5044 (2007).

•  A V Powell, P Vaqueiro, K S Knight, L C Chapon, R D Sanchez, Structure and magnetism in synthetic pyrrhotite Fe₇S₈: A powder neutron-diffraction study, Phys. Rev. B, 70, 014415 (2004).

Co-crystallisation studies of pharmaceutical ingredients

• V Srirambhatla, A Kraft, S Watt and AV Powell, A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide, CrystEngComm., 16, 9979-9982 (2014).

•  V Srirambhatla, A Kraft, S Watt and AV Powell, Crystal design approaches for the synthesis of paracetamol co-crystals, Cryst. Growth Des., 12, 4870-4879 (2012).