CeNT
herb

Laboratory of Technology of Novel Functional Materials

The group explores the synthesis and physicochemical properties of new chemical compounds – both in the solid state (‘extended’ i.e. 1D, 2D, 3D) and molecular (‘0D’). Combinations of diverse chemical elements together with a offer / a rich diversity of structures and properties of stoichiometries appearing in the phase diagrams. We focus on their electric, magnetic, thermal, and other properties, as well as their chemical reactivity.

Our interdisciplinary research is situated at the intersection of chemistry of novel materials, physical chemistry, solid state physics, and computer modeling (utilizing quantum chemistry methods). The groups of most intensely explored systems encompass novel magnetic and electronic materials based on divalent silver, Ag2+ (in particular fluorides), silver-based oxidizers as initiators of organic reactions (CH bond activation and CC coupling), materials and technologies for hydrogen storage (notably the N- and B-rich systems), and novel noble gas compounds (particularly for He and Ne, explored only theoretically).

Prof. Wojciech Grochala
email: w.grochala@cent.uw.edu.pl
phone: +48 22 55 40828
room: 3079 (II building)


Title Project Leader Project period Project funding
CHEMCAP. Physicochemical properties and phenomena in a novel chemical capacitor setup. Wojciech Grochala 2022 - 2026 OPUS 21, NCN
Electrochemically-enabled methods for aryl radicals generation and their synthetic utility Bartłomiej Sadowski 2022 - 2025 SONATA 17, NCN
Theoretical insight into the single-layer systems exhibiting strong antiferromagnetic coupling – a quest for precursors of novel superconductors Mateusz Domański 2021 - 2024 PRELUDIUM 19, NCN
CYCLO – Ag(II) promoted cycloaddition processes Piotr Leszczyński 2020 - 2023 OPUS 18, NCN
Enhancement of magnetic interactions in lanthanide compounds using Ag(II) as spin-superpolarizer Wojciech Grochala 2018 - 2022 BEETHOVEN 2, NCN
SILVERLAND: Unique silver route to superconducting cuprate analogs Wojciech Grochala 2018 - 2022 MAESTRO, NCN
Salts of [BH3NH2BH2NH2BH3]- anion as cubic boron nitride precursors and ionic conductors Rafał Owarzany 2018 - 2022 PRELUDIUM 13, NCN
Hi-Ox: Journey to the core of the atom – pushing the limits of the reachable oxidation states of metal atoms Paweł Szarek 2017 - 2021 OPUS 11, NCN
BEACs: new allotropic forms of carbon. Synthesis, doping, and electronic and adsorption properties Andrzej Szczurek 2017 - 2021 SONATA BIS 6, NCN
High-pressure synthesis and characterization of novel compounds of silver and chlorine Adam Grzelak 2018 - 2021 PRELUDIUM 13, NCN
Squeezing double perovskites: an insight into high-pressure structures of alkali metal fluoroargentates M2AgF4 (M=Na-Cs) Jakub Gawraczyński 2018 - 2021 PRELUDIUM 14, NCN
Luminescent magnetic materials based on lanthanides and boron Wojciech Wegner 2018 - 2021 PRELUDIUM 14, NCN
Investigation of the catalytic properties of vanadium compounds for decomposition of diborane and efficient solid-state hydrogen stores Piotr Orłowski 2016 - 2020 Diamentowy Grant, MNiSW
ACTIVE-OX. Oxidative C-H bond activation in light alkanes by Ag(II) salts containing weakly coordinating anions Piotr Leszczyński 2016 - 2020 OPUS 10, NCN
BIS-TRIS. Theoretical modeling of redox-tailored bi and tri-heterometallic transition metal complexes as devices for molecular electronics Paweł Szarek 2016 - 2020 OPUS 11, NCN
HYDRA. From efficient hydrogen stores in the solid state to novel multinary and composite functional materials Wojciech Grochala 2015 - 2018 OPUS, NCN
Nowoczesne materiały funkcjonalne oparte o lantanowce i bor Wojciech Wegner 2014 - 2018 Diamentowy Grant, MNiSW
Stability of hypothetical AgCl2 polymorphs under high pressure revisited – a computational study
Adam Grzelak, Wojciech Grochala
Scientific Reports volume 12, Article number: 1153 (2022)
Crystal structure, lattice dynamics and superexchange in MAgF3 1D antiferromagnets (M = K, Rb, Cs) and Rb3Ag2F7 Ruddlesden-Popper phase
Kacper Koteras, Jakub Gawraczyński, Gašper Tavčar, Zoran Mazej, Wojciech Grochala
CrystEngComm, 2022,24, 1068-1077
Charge ordering mechanism in silver difluoride
Mariana Derzsi, Kamil Tokár, Przemysław Piekarz, Wojciech Grochala
Phys. Rev. B 105, L081113
Phase transitions and amorphization in M2AgF4 (M=Na, K, Rb) double perovskites at high pressure
Jakub Gawraczyński, Łukasz Wolański, Adam Grzelak, Zoran Mazej, Viktor Struzhkin, Wojciech Grochala
Crystals 2022, 12(4), 458
Charge-Transfer and d d excitations in AgF 2
Nimrod Bachar, Kacper Koteras, Jakub Gawraczynski, Waldemar Trzciński, Józef Paszula, Riccardo Piombo, Paolo Barone, Zoran Mazej, Giacomo Ghiringhelli, Abhishek Nag, Ke-Jin Zhou, José Lorenzana, Dirk van der Marel, and Wojciech Grochala
Phys. Rev. Research 4, 023108
Effect of vanadium catalysts on hydrogen evolution from NaBH4
Piotr Antoni Orłowski, Wojciech Grochala
Solids 2022, 3(2), 295-310
Structural phase transitions and magnetic superexchange interactions in MAg(II)F3 perovskites at high pressure
Łukasz Wolański, Marvin Metzelaars, Jan van Leusen, Paul Kögerler, Wojciech Grochala
CHEM EUR J ,Volume28, Issue30 May 25, 2022
Synthesis, structure and electronic conductivity of higher hydrides of ytterbium at high pressure
Tomasz Jaroń, Jianjun Ying, Marek Tkacz, Adam Grzelak, Vitali B. Prakapenka, Viktor V. Struzhkin, Wojciech Grochala
Inorg. Chem. 2022, 61, 23, 8694–8702
Charge doping to flat AgF2 monolayers in a chemical capacitor setup
Daniel Jezierski, Adam Grzelak, Xiaoqiang Liu, Shishir Kumar Pandey, Maria N. Gastiasoro, José Lorenzana, Ji Feng ORCID Wojciech Grochala
Phys. Chem. Chem. Phys., 2022,24, 15705-15717
Gelatin Based Hydrogels for Tissue Engineering and Drug Delivery Applications
Amirian, J., Abdi, G., Shekh, M. I., Zendehdel, E. A., Du, B., & Stadler, F. J.
Nanohybrids: Future Materials for Biomedical Applications, 87(2021), 244-270
Application of Biopolymeric Electrospun Nanofibers in Biological Science
Shekh, M. I., Amirian, J., Abdi, G., Patel, D. M., & Du, B.
Nanohybrids: Future Materials for Biomedical Applications, 87(2021), 156-201
Observation of a new polyhalide phase in an Ag-Cl2 system at high pressure
Adam Grzelak, Jakub Gawraczyński, Mariana Derzsi, Viktor Struzhkin, Maddury Somayazulu, Wojciech Grochala
Crystals, 11(12), 1565
Developments in Synthesis and Potential Electronic and Magnetic Applications of Pristine and Doped Graphynes
Gisya Abdi, Abdolhamid Alizadeh, Wojciech Grochala, Andrzej Szczurek
Nanomaterials 2021, 11, 2268
Superexchange interactions in AgMF4 (M = Co, Ni, Cu) polymorphs
Mateusz A. Domański, Wojciech Grochala
Z NATURFORSCH B 76(10-12): 751-758 2021
Enhanced activity of titanocene complex for electrocatalytic nitrogen reduction reaction
Karol J. Fijalkowski
Catalysts Volume 11, Issue 3, Pages 1 - 9 Article number 389
Extending the chemistry of weakly basic ligands: solvates of Ag+and Cu+stabilized by [Al{OC(CF3)3}4]−anion as model examples in the screening of useful weakly interacting solvents
Przemysław J. Malinowski, Vadim Zhuravlev, Tomasz Jaroń, Gustavo Santiso-Quinonesb, Ingo Krossing
Dalton Trans, Volume 50, Issue 6, Pages 2050 - 2056
Laser-induced crystallization and phase transitions of As2Se3 under high pressure
Tomasz Jaroń, Vitali B. Prakapenka, and Viktor V. Struzhkin
Phys Rev B, Volume 103, Issue 18 Article number 014103
Incorporation of expanded organic cations in dysprosium(III) borohydrides for achieving luminescent molecular nanomagnets
Wojciech Wegner, Jakub J. Zakrzewski, Mikołaj Zychowicz, Szymon Chorąży
Scientific Reports, Vol. 11, Article number: 11354
Synthesis, polymorphism and thermal decomposition process of (N-C4H9)4NRE(BH4)4 for RE = Ho, Tm and Yb
Wojciech Wegner, Tomasz Jaroń
Materials Volume 14, Issue 62 Article number 1329
Perspectives on Tannins (chapter)
Andrzej Szczurek
Perspectives on Tannins - book, ISBN 978-3-0365-1092-7
Thermal valorization and elemental composition of industrial tannin extracts
Michela Zanetti, Emanuele Cesprini, Matteo Marangon, Andrzej Szczurek, Gianluca Tondi
Fuel, 289(4):119907
Pressure induced phase transitions
Wojciech Grochala
Chemical Reactivity in Confined Systems: Theory, Modelling and Applications, pp. 25–47
Comparative computational study of antiferromagnetic and mixed- valent diamagnetic phase of AgF2: crystal, electronic and phonon structure and p-T phase diagram
Kamil Tokár, Mariana Derzsi, Wojciech Grochala
COMPUT MATER SCI, 188: 110250 2021
Lattice dynamics in KAgF3, unique 1D antiferromagnet
Kacper Koteras, Jakub Gawraczyński, Mariana Derzsi, Zoran Mazej, Wojciech Grochala
CHEMISTRY, 3(1): 94-103 2021
Fluorides of silver under high compression
Dr. Dominik Kurzydłowski, Dr. Mariana Derzsi, Prof. Eva Zurek, Prof. Wojciech Grochala
CHEM EUR J, 27(17): 5536–5545 2021
Watch the colours – or about qualitative thinking in chemistry
Wojciech Grochala
FOUND CHEM 23(1): 41–58 2021
“Polycyclic Aromatic Hydrocarbons and their Adducts with Solvents from Ag(II)SO4-Based Oxidative C-C Coupling “
P. J. Leszczyński, T. Jaroń, P. J. Malinowski, J. Gawraczyński, Z. Mazej, W. Grochala
POLYCYC AROMAT COMP, 41(4): 795-804 2021
The fate of compound with AgF2 : AgO stoichiometry – a theoretical study
Mateusz A. Domański, Wojciech Grochala
J CHEM PHYS, 154(20): 204705 2021
Taming the dramatic redox reactions
Wojciech Grochala
Wiadomosci Chemiczne, 75(5-6): 755-769 2021
Theoretical study of ternary silver fluorides AgMF4 (M = Co, Ni, Cu) formation at pressures up to 20 GPa
Mateusz A. Domański, Mariana Derzsi, Wojciech Grochala
RSC ADVANCES, 11(41): 25801-25810 2021
Fate of doped carriers in silver fluoride cuprate analogs
Subrahmanyam Bandaru, Mariana Derzsi, Adam Grzelak, José Lorenzana, and Wojciech Grochala
Phys. Rev. Materials Vol. 5, p. 064801
Separation-Controlled Redox Reactions
Dr. Adam Grzelak, Dr. José Lorenzana, Prof. Wojciech Grochala
Angew. Chem. Int. Ed., Vol. 133, pp. 14011-14014
Defect Trapping and Phase Separation in Chemically Doped Bulk AgF2
Adam Grzelak, Mariana Derzsi, Wojciech Grochala
Inorganic Chemistry, Vol. 60, pp. 1561–1570
A low temperature pyrolytic route to amorphous quasi-hexagonal boron nitride from hydrogen rich (NH 4) 3 Mg (BH 4) 5
Wegner, W., Fijalkowski, K. J., & Grochala, W.
Dalton Transactions, 49(2), 336-342.
Metal (boro-)hydrides for high energy density hydrogen storage and relevant emerging technologies
Bannenberg, L. J., Heere, M., Benzidi, H., Montero, J., Dematteis, E. M., Suwarno, S., ... & El Kharbachi, A.
International Journal of Hydrogen Energy
Toward the synthesis, fluorination and application of N–graphyne
Abdi, G., Filip, A., Krajewski, M., Kazimierczuk, K., Strawski, M., Szarek, P., ... & Szczurek, A.
RSC Advances, 10(66), 40019-40029
Toward the synthesis, fluorination and application of N-graphyne
Abdi, G., Filip, A., Krajewski, M., Kazimierczuk, K., Strawski, M., Szarek, P., ... & Szczurek, A.
RSC Advances, 10(66), 40019-40029
PtX as the limit of high oxidation states in oxide–nitride species
Wolański, Ł., Domański, M. A., Grochala, W., & Szarek, P.
Chemical Communications, 56(86), 13137-13140
The high covalence of metal-ligand bonds as stability limiting factor: the case of Rh(IX)O4+ and Rh(IX)NO3
Domański, M. A., Wolański, Ł., Szarek, P., & Grochala, W.
Journal of molecular modeling, 26(3), 1-7
Epitaxial engineering of flat silver(II) fluoride cuprate analogs
Grzelak, A., Su, H., Yang, X., Kurzydłowski, D., Lorenzana, J., & Grochala, W.
Physical Review Materials, 4(8), 084405
Electrosynthesis of unique Ag(II) fluoride quantum antiferromagnets in anhydrous HF
Połczyński, P., Jurczakowski, R., Mazej, Z., Dobrzycki, Ł., Grzelak, A., & Grochala, W.
European Journal of Inorganic Chemistry, 2020(33), 3151-3157
Gigantic work function in layered AgF2
Wegner, W., Tokár, K., Lorenzana, J., Derzsi, M., & Grochala, W.
Physical Chemistry Chemical Physics, 22(38), 21809-21815
When fluorine messes up: the impact of electron scavenger on properties of molecules and solids
Grochala, W.
The Curious World of Fluorinated Molecules (pp. 15-57). Elsevier
Inclusion of Neon into an Yttrium Borohydride Structure at Elevated Pressure – An Experimental and Theoretical Study
Jaroń, T., Starobrat, A., Struzhkin, V. V., & Grochala, W.
European Journal of Inorganic Chemistry, 2020(40), 3846-3851
Carbon aerogels prepared by autocondensation of flavonoid tannin
Szczurek, A., Fierro, V., Medjahdi, G., & Celzard, A. (2019).
Carbon Resources Conversion, 2(1), 72-84
Insights into reactivity patterns of Ag(II)SO4 with respect to fluoro- and trifluoromethyl-substituted aromatics
Leszczyński, P., Budniak, A., Grzeszkiewicz, M., Gawraczyński, J., Dobrzycki, Ł, Malinowski, P., Jaroń T., Cyrański M.K., Szarek P., Mazej Z., Grochala, W.
Journal of Fluorine Chemistry, 218, 105-110
Atomic/Ionic Radius as Mathematical Limit of System Energy Evolution
Szarek, P., Chlebicki, A., & Grochala, W.
The Journal of Physical Chemistry A, 123(3), 682-692
Preparative Electrosynthesis of Strong Oxidizers at Boron-Doped Diamond Electrode in Anhydrous HF
Połczyński, P., Jurczakowski, R., Grzelak, A., Goreshnik, E., Mazej, Z., & Grochala, W.
Chemistry – A European Journal, 25(19)
Borohydride as Magnetic Superexchange Pathway in Late Lanthanide Borohydrides
Wegner, W., Leusen, J. V., Majewski, J., Grochala, W., & Kögerler, P.
European Journal of Inorganic Chemistry, 2019(13), 1776-1783
Polycyclic Aromatic Hydrocarbons and their Adducts with Solvents from Ag(II)SO4-Based Oxidative C-C Coupling
Leszczyński, P. J., Jaroń, T., Malinowski, P. J., Gawraczyński, J., Mazej, Z., & Grochala, W.
Polycyclic Aromatic Compounds, 1-10.
Beyond Oxides: Nitride as a Ligand in a Neutral (IrNO3)-N-IX Molecule Bearing a Transition Metal at High Oxidation State
Wolański, Ł, Domański, M., Grochala, W., & Szarek, P.
Chemistry - A European Journal
Silver route to cuprate analogs
Gawraczyński, J., Kurzydłowski, D., Ewings, R. A., Bandaru, S., Gadomski, W., Mazej, Z., … Grochala, W.
Proceedings of the National Academy of Sciences, 116(5), 1495-1500
Nonstationary Two-Dimensional Nuclear Magnetic Resonance: A Method for Studying Reaction Mechanisms in Situ
Nawrocka, E. K., Kasprzak, P., Zawada, K., Sadło, J., Grochala, W., Kazimierczuk, K., & Leszczyński, P. J.
Analytical Chemistry, 91(17), 11306-11315.
Two new derivatives of scandium borohydride, MSc(BH4)4, M = Rb, Cs, prepared via a one-pot solvent-mediated method
Starobrat, A., Jaroń, T., & Grochala, W. (2019). Two new derivatives of scandium borohydride, MSc (BH 4) 4, M= Rb, Cs, prepared via a one-pot solvent-mediated method.
Dalton Transactions, 48(31), 11829-11837.
Quest for compounds at the verge of charge transfer instabilities: the case of silver(II) chloride
Derzsi, M., Grzelak, A., Kondratiuk, P., Tokár, K., & Grochala, W.
Crystals, 9(8), 423.
Unconventional Look on Diameters of Quantum Systems. Could Characteristic Atomic Radius be Interpreted as Reactivity Measure?
Szarek, P., Witkowski, M., & Woźniak, A. P.
The Journal of Physical Chemistry C, 123(18), 11572-11580.
Contemporary analysis of the influence of adsorbents on the structure, stability, and reactivity of main group nanoparticles using regional density functional theory
Szarek, P., & Tachibana, A.
Harnessing Nanoscale Surface Interactions (pp. 97-127). Elsevier.
Synthesis, structural characterization and thermal decomposition studies of (N2H5)2B12H12 and its solvates
Derdziuk, J., Malinowski, P. J., & Jaroń, T.
nternational Journal of Hydrogen Energy, 44(49), 27030-27038
Low Temperature Characteristics of Hydrogen Storage Alloy LaMm-Ni4.1Al0.3Mn0.4Co0.45 for Ni-MH Batteries
Karwowska, M., Fijalkowski, K. J., & Czerwiński, A. A.
Materials, 12(24), 4220.
Dramatic enhancement of spin–spin coupling and quenching of magnetic dimensionality in compressed silver difluoride
Kurzydłowski, D., Derzsi, M., Barone, P., Grzelak, A., Struzhkin, V., Lorenzana, J., & Grochala, W. (2018).
Chemical Communications, 54(73), 10252-10255.
PDBsum: Structural summaries of PDB entries
Laskowski, R. A., Jabłońska, J., Pravda, L., Vařeková, R. S., & Thornton, J. M. (2018).
Protein Science, 27(1), 129-134
New hydrogen-rich ammonium metal borohydrides, NH 4 [M (BH 4) 4], M= Y, Sc, Al, as potential H 2 sources
Starobrat, A., Jaroń, T., & Grochala, W. (2018).
Dalton Transactions, 47(13), 4442-4448
Silverland: the Realm of Compounds of Divalent Silver-and Why They are Interesting
Grochala, W. (2018).
Journal of Superconductivity and Novel Magnetism, 31(3), 737-752
A Stable Crystalline Copper(I)–N2O Complex Stabilized as the Salt of a Weakly Coordinating Anion
V. Zhuravlev, P. J. Malinowski (2018).
Angewandte Chemie International Edition, 57(36), 11697-11700.
The Jahn-Teller Distortion at High Pressure: The Case of Copper Difluoride
Kurzydlowski, D. (2018)
Crystals, 8(3), 140
Corrosion of Hydrogen Storage Metal Alloy LaMm-Ni4.1Al0.3Mn0.4Co0.45 in the Aqueous Solutions of Alkali Metal Hydroxides
Karwowska, M., Fijalkowski, K., Czerwinski, A. (2018)
Materials, 11(12), 2423
High-temperature superconductivity as viewed from the maximum hardness principle
Grochala, W., Derzsi, M. (2018)
Journal of Molecular Modelling, 24 (9)
On the position of helium and neon in the Periodic Table of Elements
Grochala, W. (2018)
Foundations of Chemistry, 20(3)
Structure and Electromagnetic Properties of Cellular Glassy Carbon Monoliths with Controlled Cell Size
Szczurek, A., Fierro, V., Plyushch, A., Macutkevic, J. (2018)
Materials, 11(5), 709
Preparation of a series of lanthanide borohydrides and their thermal decomposition to refractory lanthanide borides
Wegner, W., Jaroń, T., & Grochala, W.
Journal of Alloys and Compounds, 744, 57-63
The generalized maximum hardness principle revisited and applied to solids (Part 2).
Grochala, W., 2017.
Physical Chemistry Chemical Physics, 19(46), pp.30984-31006.
Prediction of extremely strong antiferromagnetic superexchange in silver (II) fluorides: challenging the oxocuprates (II)
Kurzydłowski, D. and Grochala, W., 2017.
Angewandte Chemie, 129(34), pp.10248-10251.
High-Pressure Reactivity of Kr and F2—Stabilization of Krypton in the +4 Oxidation State
Kurzydłowski, D., Sołtysiak, M., Dżoleva, A., & Zaleski-Ejgierd, P. (2017).
Crystals, 7(11), 329.
Beyond GGA: benefits from hybrid HSE06 functional for correct description of crystal and electronic structure and lattice dynamics of solids at ambient and elevated pressure
Grochala, W. (2017, October).
Journal of Physics: Conference Series (Vol. 950, No. 3, p. 032021). IOP Publishing
On the peculiarities of phase developments involving Zn2+-doped ZrO2 system
Kumar, K., Jaroń, T., & Chowdhury, A. (2017).
Scripta Materialia, 138, 71-74
On the position of helium and neon in the Periodic Table of Elements
Grochala, W.
Foundations of Chemistry, 1-17. 2017, 1-17, IF=0.647, Open Access
High-Pressure Behavior of Silver Fluorides up to 40 GPa
Grzelak, A., Gawraczyński, J., Jaroń, T., Kurzydłowski, D., Budzianowski, A., Mazej, Z., ... & Grochala, W. (2017).
Inorganic chemistry, 56(23), 14651-14661.
Amidoboranes of rubidium and caesium: the last missing members of the alkali metal amidoborane family.
Owarzany, R., Jaroń, T., Leszczyński, P. J., Fijalkowski, K. J., & Grochala, W. (2017).
Dalton Transactions, 46(46), 16315-16320.
Electric Permittivity in Individual Atomic and Molecular Systems Through Direct Associations with Electric Dipole Polarizability and Chemical Hardness
Szarek, P. (2017).
The Journal of Physical Chemistry C, 121(23), 12593-12602.The Journal of Physical Chemistry C, 121(23), 12593-12602.
Persistence of Mixed and Non-intermediate Valence in the High-Pressure Structure of Silver(I,III) Oxide, AgO: A Combined Raman, X-ray Diffraction (XRD), and Density Functional Theory (DFT) Study
Grzelak, A., Gawraczyński, J., Jaroń, T., Somayazulu, M., Derzsi, M., Struzhkin, V., & Grochala, W. (2017).
Inorganic chemistry, 56(10), 5804-5812.
[Ag(OH2)2][Ag(SO4)2]: A Hydrate of a Silver(II) Salt
Gilewski, T. E., Gawraczyński, J. H.; Derzsi, M.; Jagličić, Z.; Mazej, Z.; Połczyński, P.; Jurczakowski, R.; Leszczyński, P. J.; Grochala, W. R.
Chemistry - A European Journal 2017, 23, 1805-1813
Reconnaissance of reactivity of an Ag (ii) SO 4 one-electron oxidizer towards naphthalene derivatives
Budniak, A.K., Masny, M., Prezelj, K., Grzeszkiewicz, M., Gawraczyński, J., Dobrzycki, Ł., Cyrański, M.K., Koźmiński, W., Mazej, Z., Fijałkowski, K.J. and Grochala, W., (2017).
New Journal of Chemistry, 41(19), pp.10742-10749.
Large magnetic anisotropy in quasi one-dimensional spin-1/2 fluoride antiferromagnets with ad (z2) 1 ground state
Kurzydlowski, D., & Grochala, W. (2017).
arXiv preprint arXiv:1704.08902.
Metal fluoride nanotubes featuring square-planar building blocks in a high-pressure polymorph of AgF 2
Grzelak, A., Gawraczyński, J., Jaroń, T., Kurzydłowski, D., Mazej, Z., Leszczyński, P.J., Prakapenka, V.B., Derzsi, M., Struzhkin, V.V. and Grochala, W., (2017).
Dalton Transactions, 46(43), pp.14742-14745.
Canted Antiferromagnetism in Two-Dimensional Silver(II) Bis[pentafluoridooxidotungstate(VI)]
Mazej, Z., Gilewski, T., Goreshnik, E. A., Jagličić, Z., Derzsi, M., & Grochala, W.
Inorganic Chemistry, 56(1)
Large exchange anisotropy in quasi-one-dimensional spin-1/2 fluoride antiferromagnets with a d(z(2))(1) ground state
Kurzydłowski, D., & Grochala, W.
Physical Review B, 96(15)
Metal fluoride nanotubes featuring square-planar building blocks in a high-pressure polymorph of AgF2
Grzelak, A., Gawraczyński, J., Jaroń, T., Kurzydłowski, D., Mazej, Z., Leszczyński, P. J., . . . Grochala, W.
Dalton Transactions, 46(43), 14742-14745
The generalized maximum hardness principle revisited and applied to atoms and molecules
Grochala, W.
Physical Chemistry Chemical Physics, 19(46), 31508-31508.
Self-Phase-Matched Second-Harmonic and White-Light Generation in a Biaxial Zinc Tungstate Single Crystal
Osewski, P., Belardini, A., Petronijevic, E., Centini, M., Leahu, G., Diduszko, R., . . . Sibilia, C.
Scientific Reports, 7(1).
Coordination Chemistry of Diiodine and Implications for the Oxidation Capacity of the Synergistic Ag+/X2 (X= Cl, Br, I) System.
Malinowski, P. J., Himmel, D., & Krossing, I. (2016).
Angewandte Chemie International Edition 55, no. 32 (2016): 9262-9266.
Chemically driven negative linear compressibility in sodium amidoborane, Na (NH2BH3).
Magos-Palasyuk, E., Fijalkowski, K.J. and Palasyuk, T., 2016.
Scientific reports, 6, p.28745.
Structural properties and the fluorite–pyrochlore phase transition in La2Zr2O7: The role of oxygen to induce local disordered states.
Paul, B., Singh, K., Jaroń, T., Roy, A. and Chowdhury, A., (2016).
Journal of Alloys and Compounds, 686, pp.130-136.
High-pressure stabilization of argon fluorides.
Kurzydłowski, D., & Zaleski-Ejgierd, P. (2016).
Physical Chemistry Chemical Physics, 18(4), 2309-2313.
AuO: Evolving from Dis-to Comproportionation and Back Again.
Hermann, A., Derzsi, M., Grochala, W., & Hoffmann, R. (2016).
nic chemistry 55, no. 3 (2016): 1278-1286.
Ferromagnetic ground state for a hypothetical iron-based extended metal atom chain.
Szarek, P., Wegner, W., & Grochala, W. (2016).
Journal of molecular modeling, 22(3), 63.
Unique silver (II) fluorides: the emerging electronic and magnetic materials.
Mazej, Z., Kurzydłowski, D., & Grochala, W. (2016).
Photonic and Electronic Properties of Fluoride Materials (pp. 231-260).
Efficient Electrosynthesis of AgIISO4: A Powerful Oxidizer and Narrow Band Gap Semiconductor.
Połczyński, P., Gilewski, T.E., Gawraczyński, J., Derzsi, M., Leszczyński, P.J., Gadomski, W., Mazej, Z., Jurczakowski, R. and Grochala, W., (2016.)
European Journal of Inorganic Chemistry, 2016(35), pp.5401-5404.
Canted Antiferromagnetism in Two-Dimensional Silver (II) Bis [pentafluoridooxidotungstate (VI)].
Mazej, Z., Gilewski, T., Goreshnik, E. A., Jagličić, Z., Derzsi, M., & Grochala, W. (2016).
Inorganic chemistry, 56(1), 224-233.
Depth of formation of CaSiO3 – walstromite included in super-deep diamonds
Anzolini, C., Angel, R. J., Merlini, M., Derzsi, M., Tokár, K., Milani, S., ... & Harris, J. W. (2016).
Lithos, 265, 138-147.
Hexacoordinated nitrogen(V) stabilized by high pressure
Kurzydłowski, D., & Zaleski-Ejgierd, P. (2016).
Scientific reports, 6, 36049.
Local and cooperative Jahn-Teller effect and resultant magnetic properties of M2AgF4 (M=Na-Cs) phases
Kurzydłowski, D., Jaroń, T., Ozarowski, A., Hill, S., Jagličić, Z., Filinchuk, Y., ... & Grochala, W. (2016).
Properties of M2AgF4 (M= Na–Cs) Phases. Inorganic chemistry, 55(21), 11479-11489.
Crystal, electronic, and magentic structures of M2AgF4 (M=Na-Cs) phases as viewed from the DFT+U method
Kurzydłowski, D., Derzsi, M., Mazej, Z., & Grochala, W. (2016).
Dalton Transactions, 45(41), 16255-16261.
Mono- and Bimetalic Amidoboranes
Owarzany, R., Leszczyński, P. J., Fijalkowski, K. J., & Grochala, W. (2016).
Crystals, 6(8), 88.
Synthesis, crystal structures, and selected properties of metal fluorosulphates(VI)
Michałowski, T., Malinowski, P. J., & Grochala, W. (2016).
Journal of Fluorine Chemistry, 189, 102-118.
Organic derivatives of Mg(BH4)2 as precursors towards MgB2 and novel inorganic mixed-cation borohydrides
Wegner, W., Jaroń, T., Dobrowolski, M. A., Cyrański, M. K., & Grochala, W. (2016).
Dalton Transactions, 45(36), 14370-14377.
Ag2S2O8 meets AgSO4: the second example of metal-ligand redox isomerism among inorganic systems
Gilewski, T. E., Leszczyński, P. J., Budzianowski, A., Mazej, Z., Grzelak, A., Jaroń, T., & Grochala, W. (2016).
Dalton Transactions, 45(45), 18202-18207.
Comment to “Pressure-induced structural and valence transition in AgO” by C. Hou, J. Botana, X. Zhang, X. Wang, and M. Miao
Derzsi, M., & Grochala, W. (2016).
Physical Chemistry Chemical Physics, 18(46), 31973-31974.
Capacitance, the Next of Kin to Chemical Softness and Density of States, an Unexpected Perk of Being the “middle Child”
Szarek, P. (2016)
The Journal of Physical Chemistry C, 120(31), 17175-17183.
Synthesis and characterization of a series of mixed-cation borohydrides of scandium: [Cat][Sc(BH4)4], [Cat]=[Me4N], [n-Bu4N], and [Ph4P]
Starobrat, A., Jaroń, T., & Grochala, W. (2015)
Inorganica Chimica Acta, 437, 70-73
AgPO2F2 and Ag9(PO2F2)14 – the first Ag(I) and Ag(I)/Ag(II) difluorophosphates with complex crystal structure
Malinowski, P. J., Kurzydłowski, D., & Grochala, W. (2015)
Dalton Transactions, 44(45), 19478-19486
Chemistry of Ag(II): a cornucopia of peculiarities
Grochala, W., & Mazej, Z. (2015)
Phil. Trans. R. Soc. A, 373(2037), 20140179.
Towards a metallic quasi‐d9 system without copper: AgO at high pressure.
Włodarska, I., Derzsi, M. and Grochala, W., 2015.
physica status solidi (RRL)-Rapid Research Letters, 9(7), pp.401-404.
The first example of a mixed valence ternary compound of silver with random distribution of Ag (I) and Ag (II) cations.
Mazej, Z., Michałowski, T., Goreshnik, E.A., Jagličić, Z., Arčon, I., Szydłowska, J. and Grochala, W., 2015.
Dalton Transactions, 44(24), pp.10957-10968.
Superconductivity in transition metals
Slocombe D, Kuznetsov V, Grochala W, Williams RPJ, Edwards PP.
Philos T R Soc A 2015, 373(3): 20140476
Anomalous chemical shifts in X-ray photoelectron spectra of sulfur-containing compounds of silver (I) and (II).
Grzelak, A., Jaroń, T., Mazej, Z., Michałowski, T., Szarek, P., & Grochala, W., 2015.
Journal of Electron Spectroscopy and Related Phenomena, 202, 38-45.
Facile Formation of Thermodynamically Unstable Novel Borohydride Materials by a Wet Chemistry Route.
Jaroń, T., Wegner, W., Fijałkowski, K. J., Leszczyński, P. J., & Grochala, W. (2015).
Chemistry-A European Journal, 21(15), 5689-5692.
Hydrogen Storage Materials: Room‐Temperature Wet‐Chemistry Approach toward Mixed‐Metal Borohydrides.
Jaroń, T., Orłowski, P. A., Wegner, W., Fijałkowski, K. J., Leszczyński, P. J., & Grochala, W. (2015).
Angewandte Chemie International Edition, 54(4), 1236-1239.
Noble Gas Monoxides Stabilized in a Dipolar Cavity: A Theoretical Study.
Szarek, P., & Grochala, W. (2014).
The Journal of Physical Chemistry A, 119(11), 2483-2489.
Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on.
Zurek, E., & Grochala, W. (2015).
Physical Chemistry Chemical Physics, 17(5), 2917-2934.
Unexpectedly Complex Crystalline Phases in the MSO3F–Ag (SO3F) 2 Phase Diagram (M= Na, K, Rb, Cs).
Michałowski, T., Mazej, Z., Budzianowski, A., Jagličić, Z., Leszczyński, P. J., & Grochala, W. (2015).
European Journal of Inorganic Chemistry, 2015(2), 324-332.
New Ag(F1–xClx)y phases for energy storage applications
Wojciech Adamczyk, Piotr Połczyński, Andrzej Mika, Tomasz Jaroń, Zoran Mazej, Karol J. Fijalkowski, Rafał Jurczakowski, Wojciech Grochala
Journal of Fluorine Chemistry 17, no. 22-29 (2015): 174.
Complete Series of Alkali-Metal M (BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.
Owarzany, R., Fijalkowski, K. J., Jaroń, T., Leszczyński, P. J., Dobrzycki, Ł., Cyrański, M. K., & Grochala, W. (2015).
Inorganic chemistry, 55(1), 37-45.
AgPO2F2 and Ag9(PO2F2)14 – the first Ag(I) and Ag(I)/Ag(II) difluorophosphates with complex crystal structures
Malinowski, P.J., Kurzydłowski, D. and Grochala, W., 2015.
Dalton Transactions, 44(45), pp.19478-19486.
First there was hydrogen.
Grochala, W., 2015.
Nature chemistry, 7(3), pp.264-264.
Complete series of alkali metal M(BH3NH2BH2NH2BH3) hydrogen-storage salts accessed via metathesis in organic solvents.
Owarzany, R., Fijalkowski, K. J., Jaroń, T., Leszczyński, P. J., Dobrzycki, Ł., Cyrański, M. K., & Grochala, W. (2015).
Inorganic chemistry, 55(1), 37-45.
Fine-tuning of magnetic properities in Ni(II) trinuclear EMACs via modifications of equatorial ligands
Szarek, P., & Grochala, W. (2015)
The Journal of Physical Chemistry A, 119(35), 9363-9372.
Ag [Fe (CO) 5] 2+: A Bare Silver Complex with Fe (CO) 5 as a Ligand.
Malinowski, P. J., & Krossing, I. (2014).
Angewandte Chemie International Edition, 53(49), 13460-13462.
Polymorphism and hydrogen discharge from holmium borohydride, Ho (BH 4) 3, and KHo (BH 4) 4.
Wegner, W., Jaroń, T., & Grochala, W. (2014).
international journal of hydrogen energy, 39(35), 20024-20030.
Most Probable Distance between the Nucleus and HOMO Electron: The Latent Meaning of Atomic Radius from the Product of Chemical Hardness and Polarizability.
Szarek, P., & Grochala, W. (2014).
The Journal of Physical Chemistry A, 118(44), 10281-10287.
M (BH 3 NH 2 BH 2 NH 2 BH 3)–the missing link in the mechanism of the thermal decomposition of light alkali metal amidoboranes.
Fijalkowski, K. J., Jaroń, T., Leszczyński, P. J., Magos-Palasyuk, E., Palasyuk, T., Cyrański, M. K., & Grochala, W. (2014).
Physical Chemistry Chemical Physics, 16(42), 23340-23346.
Structures of late transition metal monoxides from Jahn-Teller instabilities in the rock salt lattice.
Derzsi, M., Piekarz, P., & Grochala, W. (2014).
Physical review letters, 113(2), 025505.
Diamond: the electronic ground state of carbon at temperatures approaching 0 k
Grochala, W. (2014)
Angewandte Chemie International Edition, 53(14), 3680-3683
Next generation sequencing reveals microRNA isoforms in liver cirrhosis and hepatocellular carcinoma.
Wojcicka, A., Swierniak, M., Kornasiewicz, O., Gierlikowski, W., Maciag, M., Kolanowska, M., ... & Krawczyk, M. (2014).
The international journal of biochemistry & cell biology, 53, 208-217.
M(BH3NH2BH2NH2BH3) salts – the missing link in the mechanism of thermal decomposition of light alkali metal amidoboranes
Fijalkowski, K. J., Jaroń, T., Leszczyński, P. J., Magos-Palasyuk, E., Palasyuk, T., Cyrański, M. K., & Grochala, W. (2014).
Physical Chemistry Chemical Physics, 16(42), 23340-23346.
Ag[Fe(CO)5]2+: A Bare Silver Complex with Fe(CO)5 as a Ligand
Malinowski, P. J., & Krossing, I. (2014)
Chemie International Edition, 53(49), 13460-13462.
Lone-pair interactions and photodissociation of compresssed nitrogen trifluoride
Kurzydłowski, D., Wang, H. B., Troyan, I. A., & Eremets, M. I. (2014)
The Journal of chemical physics, 141(6), 064706
MYb (BH4) 4 (M= K, Na) from laboratory X-ray powder data.
Wegner, W., Jaroń, T., & Grochala, W. (2013).
Acta Crystallographica Section C: Crystal Structure Communications, 69(11), 1289-1291.
Strong and long-lived free-radical oxidizer based on silver (II). Mechanism of Ag (I) electrooxidation in concentrated H2SO4.
Połczyński, P., Jurczakowski, R., & Grochala, W. (2013).
The Journal of Physical Chemistry C, 117(40), 20689-20696.
The Close Relationships between the Crystal Structures of MO and MSO4 (M= Group 10, 11, or 12 Metal), and the Predicted Structures of AuO and PtSO4.”
Derzsi, M., Hermann, A., Hoffmann, R., & Grochala, W. (2013).
European Journal of Inorganic Chemistry, 2013(29), 5094-5102.
Structural transition and unusually strong antiferromagnetic superexchange coupling in perovskite KAgF 3.
Kurzydłowski, D., Mazej, Z., Jagličić, Z., Filinchuk, Y., & Grochala, W. (2013).
Chemical Communications, 49(56), 6262-6264.
Stabilization and strong oxidizing properties of Ag (II) in a fluorine-free solvent.
Połczyński, P., Jurczakowski, R., & Grochala, W. (2013).
Chemical Communications, 49(68), 7480-7482.
Ag(I)S2O6CF3: the first trifluoromethylsulfonylsulfate (VI).
Malinowski, P.J., Derzsi, M. and Grochala, W., 2013.
Dalton Transactions, 42(29), pp.10417-10423.
AgS2O6CF3: the first trifluoromethylsulfonylsulfate(VI)
Malinowski, P. J., Derzsi, M., & Grochala, W. (2013)
Dalton Transactions, 42(29), 10417-10423.
Redetermination of crystal structure of Ag(II)SO4 and its high-pressure behavior up to 30 GPa
Derzsi, M., Budzianowski, A., Struzhkin, V. V., Malinowski, P. J., Leszczyński, P. J., Mazej, Z., & Grochala, W. (2013).
CrystEngComm, 15(1), 192-198.
Na2AgF4: 1D antiferromagnet with unusually short Ag2+ Ag2+ separation
Kurzydłowski, D., Mazej, Z., & Grochala, W. (2013)
Dalton Transactions, 42(6), 2167-2173
M[Y(BH4)4] and M2Li[Y(BH4)6−xClx] (M = Rb, Cs): new borohydride derivatives of yttrium and their hydrogen storage properties
Jaroń, T., Wegner, W., & Grochala, W. (2013)
Dalton Transactions, 42(19), 6886-6893
Strong Cationic Oxidizers: Thermal Decomposition, Electronic Structure and Magnetism of Their Compounds
Leszczyǹski, P. J., & Grochala, W. (2013)
Acta Chimica Slovenica, 60(3), 455-470
Thermal and chemical decomposition of di (pyrazine) silver (II) peroxydisulfate and unusual crystal structure of a Ag (I) by-product.
Leszczyński, P. J., Budzianowski, A., Dobrzycki, Ł., Cyrański, M. K., Derzsi, M., & Grochala, W. (2012).
Dalton Transactions, 41(2), 396-402.
Crystal and electronic structure, lattice dynamics and thermal properties of Ag (i)(SO 3) R (R= F, CF 3) Lewis acids in the solid state.
Grochala, W., Cyrański, M. K., Derzsi, M., Michałowski, T., Malinowski, P. J., Mazej, Z., ... & Leszczyński, P. J. (2012).
Dalton Transactions, 41(7), 2034-2047.
Chemo-switched chromatic, magnetic and structural changes with retention of molecular crystallinity, Ni (12aneS 4)(BF 4) 2.
Churchard, A. J., Derzsi, M., Jagličić, Z., Remhof, A., & Grochala, W. (2012).
Dalton Transactions, 41(17), 5172-5176.
The missing crystal structures of fluorosulfates of monovalent cations: M (I) SO 3 F, M= Na, Rb and Tl.
Michałowski, T., Leszczyński, P. J., Cyrański, M., Dobrzycki, Ł., Budzianowski, A., & Grochala, W. (2012).
Journal of Fluorine Chemistry, 140, 116-120.
Orbital Approach to the Electronic Structure of Solids
Grochala, W. (2012).
Angew Chem Int Ed Engl 2012, 51(33): 8155-8155
A metastable He–O bond inside a ferroelectric molecular cavity:(HeO)(LiF) 2.
Grochala, W. (2012).
Physical Chemistry Chemical Physics, 14(43), 14860-14868.
Y (BD 4) 3, an efficient store of deuterium, and impact of isotope effects on its thermal decomposition.
Jaroń, T., & Grochala, W. (2012).
Journal of Nuclear Materials, 420(1-3), 307-313.
Tetrabutylammonium cation in a homoleptic environment of borohydride ligands:[(n-Bu) 4 N][BH 4] and [(n-Bu) 4 N][Y (BH 4) 4].
Jaroń, T., Wegner, W., Cyrański, M. K., & Grochala, W. (2012).
Journal of Solid State Chemistry, 191, 279-282.
Y(BD4)3 An Efficient Store of Deuterium, and Impact of Isotope Effects on Its Thermal Decomposition
Jaroń, T., & Grochala, W. (2012).
Journal of Nuclear Materials, 420(1-3), 307-313.
Insights from impedance spectroscopy into mechanism of thermal decomposition of M(NH2BH3) M=H, Li, Na, Li0.5Na0.5 hydrogen stores
Fijalkowski, K. J., Jurczakowski, R., Koźmiński, W., & Grochala, W. (2012)
Physical Chemistry Chemical Physics, 14(16), 5778-5784

Project title: SILVERLAND. Unique silver route to superconducting cuprate analogs.

Grant Agreement No.: UMO-2017/26/A/ST5/00570

Source of funding: National Science Centre, Poland

Budget: 3 381 400 PLN

Duration: 2018 – 2021/22

Project description:

Project is highly interdisciplinary and is conducted in broad international cooperation. Four world-class experts from Slovenia, Italy, USA and Singapore are official partners of Polish scientists. Moreover, many more researchers from China, Great Britain, Switzerland, Georgia, Slovak Rep., Italy, USA and Poland are participating in the project. So called silver difluoride (AgF2) is the main precursor material; it will undergo numerous modifications using advanced crystal engineering, as well as will constitute the basis for a number of unprecedented chemical stoichiometries. We will investigate the structure of materials (i.e. the way atoms are arranged in the solids), the nature of chemical bonds, as well as superconducting behaviour. Substantial support in the project is offered by the state-of-the-art theoretical calculations using supercomputers at ICM, The University of Warsaw; the calculations and modeling will give us better understanding of the manufactured samples.

Our ambitious goal is to generate new better superconductors, which could be used without necessity of cooling them at all – this alone constitutes a nontrivial scientific goal and every step counts which we can make towards that dream. We would also like to preserve the lead position of the Warsaw team in the research on fluoroargentates, which we gained during nearly 2 decades of hard work on many chemical systems. Several young scientists will be trained to take the lead in the future. In a more distant perspective, one may think of important consequences for the country and the society. According to the US Geological Survey, Poland has the largest documented silver ore deposits in the world. Perhaps, based on the basic research contained in this project, new interesting applications could be found for this valuable semi-precious metal, while benefiting our society and civilization.

Publications:

Połczyński P., Jurczakowski R., Mazej Z., Dobrzycki Ł., Grzelak A., Grochala W., Electrosynthesis of unique Ag(II) fluoride quantum antiferromagnets in anhydrous HF, EUR J INORG CHEM 2020(33): 3151-3157 2020 (dedicated to Martin Jansen at his 75th birthday)

Grzelak A., Su H., Yang X., Kurzydlowski D., Lorenzana J., Grochala W., Epitaxial engineering of flat silver(II) fluoride cuprate analogs, PHYS REV MATER 4(8): 084405 2020   arXiv:2005.00461 Editor’s suggestion

Kurzydłowski D., Derzsi M., Barone P., Grzelak A., Struzhkin V., Lorenzana J. and Grochala W., Dramatic enhancement of spin–spin coupling and quenching of magnetic dimensionality in compressed silver difluoride , Chem. Commun., 2018,54, 10252-10255. From themed collection: Fluorine Chemistry

Lectures at the international conferences:
 
31 I 2020 – “Towards greener storage and transfer of energy”, Queensland University of Technology, Brisbane, Australia, (Distinguished Visitor Lecture),
20 I 2020 – “Remarkable fluoroargentates(II) – the ultimate siblings of oxocuprates”, University of Geneva, Switzerland,
4-7 II 2020 – 44th Condensed Matter and Materials “Wagga” Meeting (Rotorua, New Zealand), invited talk,
5 XI 2020 – “Maximum Hardness Principle applied to solids”, RWTH Aachen, Germany, W. Grochala,
2-5 IX 2019 – 62nd PTChem Symposium celebrating 100th anniversary of The Society (Warsaw, Poland), 2 posters & 11 talks,
25-31 VIII 2019 – 19th ESFC (Warsaw, Poland), poster & 15 talks & 8 posters,

17-20 VII 2019 – Advanced Nano Materials ANM 2019 (Aveiro, Portugal), talk.