Round robin on structure analysis from 3D electron diffraction data Mauro Gemmi, Lukáš Palatinus, Philippe Boullay, Jan Pieter Abrahams, Amatassalâm Ben Meriem, et al. Iucrj, 2026 3D electron diffraction (3D ED) has undergone impressive development in the last decade. However, its accuracy and reproducibility have never been tested, up to now, in different laboratories on the same batch of samples. This paper reports a round robin on three test structures, two inorganic and one organic, solved and refined with 3D ED in seven different laboratories employing different transmission electron microscopes, with different acceleration voltages, different methodologies and different detectors. The results of the round robin show a remarkable accuracy of the technique that, in the case of kinematical refinement, is around 0.05 Å error on atomic positions for the inorganic samples and 0.15 Å for the beam-sensitive organic crystal. Dynamical refinement further improves the accuracy. The analysis of diverse samples and numerous data sets again confirms that dynamical refinement is a well established procedure, significantly reducing the refinement R factors, improving the accuracy of the structure models in most cases, and providing fine structural details, such as hydrogen-atom positions and the absolute structure, for both inorganic and organic samples.
Fully Textured Monolithic Sb2S3/Silicon Tandem for Unbiased and Stable Solar-Driven Water Splitting Paired with Iodide Oxidation Reaction Jihong Min, Irene Dei Tos, Sepideh Rahimisheikh, Beatriz de la Fuente, Devika Rajagopal, et al. Advanced Science, 2026 Solar‐driven photoelectrochemical (PEC) production of chemical fuels such as hydrogen is a viable solution to address climate neutrality objectives. Development of a monolithic tandem PEC device consisting of ideal bandgap absorbers is of paramount importance to realize efficient artificial photosynthesis systems. Herein, we report monolithic integration of Sb 2 S 3 on textured silicon to realize a completely inorganic and fully vacuum processed multilayer PEC device with Ag/Indium Tin Oxide (ITO)/Heterojunction with Intrinsic Thin layer (HIT) Si/ITO/Au/Sb 2 S 3 /NiO x architecture. Photoelectron spectroscopy and computational analysis show a staggered band alignment between Si and Sb 2 S 3 , emulating Z‐scheme charge transfer mechanism. We demonstrate a high performing and stable Sb 2 S 3 ‐Si monolithic tandem for PEC hydrogen evolution reaction (HER) coupled to iodide oxidation reaction (IOR). Under AM 1.5G illumination, the Sb 2 S 3 ‐Si monolithic tandem device achieves unassisted photocurrent density of 4.38 mA cm − 2 with faradaic efficiency of 97% for hydrogen, while maintaining ∼90% of its initial performance after 10 h of continuous operation. These results set a new benchmark for all inorganic monolithic tandems for efficient and sustainable solar‐to‐chemical conversion. This work unlocks the pathway for artificial photosynthesis systems comprising ideal bandgap photo absorbers.
New perovskite-based manganite Pb2Mn2O5 Joke Hadermann, Artem M. Abakumov, Tyché Perkisas, Hans D’Hondt, Haiyan Tan, et al. Journal of Solid State Chemistry, 2010
Anion Ordering in Fluorinated La2CuO4 A.M. Abakumov, J. Hadermann, G. Van Tendeloo, R.V. Shpanchenko, P.N. Oleinikov, et al. Journal of Solid State Chemistry, 1999
RECENT SCHOLAR PUBLICATIONS
Accelerating electrochemical CO2-to-CO conversion with Zn–Al layered double hydroxide amorphized by grinding treatment R Nakazato, K Matsumoto, M Quintelier, J Hadermann, M Cavallo, ... Journal of the Ceramic Society of Japan 134 (4), 316-324 , 2026 2026
Round robin on structure analysis from 3D electron diffraction data M Gemmi, L Palatinus, P Boullay, JP Abrahams, A Ben Meriem, ... IUCrJ 13 (2) , 2026 2026 Citations: 3
A 4D-STEM Tomographic Framework Assisted by Object Tracking for Nanoparticle Structure Solution S Gholam, A Annys, I Skvortsova, EC Oyonarte, A Hajizadeh, P Boullay, ... arXiv preprint arXiv:2602.09768 , 2026 2026
Charge Ordering and Incommensurate Modulations in the Metamagnetic Layered Manganese Oxysulfide Sr 2 MnO 2 Cu 3.5 S 3 LE Crentsil, OJ Rutt, DG Free, MJ David, RD Smyth, CF Smura, DA Keen, ... Journal of the American Chemical Society , 2026 2026
Structure and magnetism of mixed-valent iron oxysulfides Sr 3 Fe 4 O 6 S 2 (Sr 3 (Fe 3+) 2 O 5 (Fe 2+) 2 OS 2) and Sr 4 Fe 4 O 7 S 2 (Sr 4 (Fe 3+) 2 O 6 (Fe 2+) 2 OS 2) AN Gillette, AR Lyon, S Savvin, I Puente-Orench, S Rahimisheikh, ... Chemical Communications 62 (18), 5237-5240 , 2026 2026
Electrocatalytic CO2 reduction to produce efficient and controlled syngas on highly dispersed NiFe on N-doped ordered porous carbonaceous support R Palacio, D Jaramillo, E Rodríguez-Jara, R Nakazato, M Quintelier, ... Chemical Engineering Journal, 172327 , 2025 2025
Charge Transport and Microstructural Evolution in Solvent-Vs. Water-Based Li-S Battery Electrodes S Yari, L Bird, S Rahimisheikh, AC Reis, M Mohammad, J Hadermann, ... 248th ECS Meeting (October 12-16, 2025) , 2025 2025
Dimensionally Tunable Rod-Shaped Zirconia Particles via Bottom-Up Assembly Z Xue, C Yao, J Zhang, M Quintelier, J Hadermann, J Vleugels, ... Inorganic Chemistry 64 (40), 19998-20012 , 2025 2025
MDT: A simple tool to facilitate dropcasting on in situ TEM MEMS chips M Quintelier, J Hadermann HardwareX 23, e00666 , 2025 2025
Optoelectronic Properties of Atomic Layer Deposited and Sputtered MoS 2 Films CA Nattoo, T Peña, K Nassiri Nazif, X Wu, S Rahimisheikh, G D’Acunto, ... ACS Applied Materials & Interfaces 17 (33), 47347-47354 , 2025 2025 Citations: 2
Removing constraints of 4D-STEM with a framework for event-driven acquisition and processing A Annys, HLL Robert, S Gholam, J Hadermann, J Verbeeck Ultramicroscopy, 114206 , 2025 2025 Citations: 6
Charge–Discharge Mechanisms in O3–Na x Fe 0.5 Mn 0.5 O 2 Na-Ion Battery Electrodes─Unraveling the Structure of the X-Phase AØ Drejer, M Schou Hansen, M Johansen, J Dunker, R Poppe, ... Chemistry of Materials 37 (14), 5234-5248 , 2025 2025 Citations: 3
A New Framework for Acquisition and Processing of Event-driven 4D STEM A Annys, HLL Robert, S Gholam, J Hadermann, J Verbeeck Microscopy and Microanalysis 31 (Supplement_1), ozaf048. 080 , 2025 2025
Influence of Atmospheric Conditions on the Structural Evolution upon Heating of the ZnAl-Layered Double Hydroxide: A Comprehensive In Situ Transmission … M Quintelier, A Zintler, R Nakazato, NC Rosero-Navarro, K Tadanaga, ... ACS Applied Materials & Interfaces 17 (26), 38587-38596 , 2025 2025 Citations: 2
CO2 electrochemical reduction by Zn-based layered double hydroxides: The role of structural trivalent metal ions R Nakazato, K Matsumoto, M Quintelier, J Hadermann, ... Open Ceramics 22, 100788 , 2025 2025 Citations: 2
3D Electron diffraction on nanoparticles: minimal size and associated dynamical effects E Cordero Oyonarte, L Rebecchi, S Gholam, MD Faye Diouf, E Bigard, ... ACS nano 19 (22), 20599-20612 , 2025 2025 Citations: 10
Li 21 Ge 8 P 3 S 34 : New Lithium Superionic Conductor with Unprecedented Structural Type J Roh, S Gholam, N Do, A Manjón‐Sanz, J Hadermann, ST Hong Angewandte Chemie 137 (22), e202500732 , 2025 2025 Citations: 3
A low-temperature, one-step synthesis for monazite can transform monazite into a readily usable advanced nuclear waste form Y Zhoujin, HB Tisdale, N Keerthisinghe, G Morrison, MD Smith, ... Science Advances 11 (12), eadt3518 , 2025 2025 Citations: 13
Zinc oxides by thermal decomposition synthesis and parameters affecting electrocatalyst activity for CO2 reduction reaction E Rodríguez-Jara, M Cavallo, R Nakazato, M Quintelier, K Matsumoto, ... Open Ceramics 21, 100733 , 2025 2025 Citations: 1
Lithium-rich, oxygen-deficient spinel obtained through low-temperature decomposition of heterometallic molecular precursor Y Zhang, Z Wei, M Batuk, J Hadermann, AS Filatov, J Chang, H Han, ... Energy Materials 5 (7) , 2025 2025 Citations: 1
MOST CITED SCHOLAR PUBLICATIONS
Strength, toughness and aging stability of highly-translucent Y-TZP ceramics for dental restorations F Zhang, M Inokoshi, M Batuk, J Hadermann, I Naert, B Van Meerbeek, ... Dental Materials 32 (12), e327-e337 , 2016 2016 Citations: 557
A chemical approach to raise cell voltage and suppress phase transition in O3 sodium layered oxide electrodes M Sathiya, Q Jacquet, ML Doublet, OM Karakulina, J Hadermann, ... Advanced Energy Materials 8 (11), 1702599 , 2018 2018 Citations: 234
Highly-translucent, strong and aging-resistant 3Y-TZP ceramics for dental restoration by grain boundary segregation F Zhang, K Vanmeensel, M Batuk, J Hadermann, M Inokoshi, ... Acta biomaterialia 16, 215-222 , 2015 2015 Citations: 214
Structural requirements in lithium cobalt oxides for the catalytic oxidation of water GP Gardner, YB Go, DM Robinson, PF Smith, J Hadermann, A Abakumov, ... Angewandte Chemie International Edition 51 (7), 1616-1619 , 2012 2012 Citations: 188
La 1.5 Sr 0.5 NiMn 0.5 Ru 0.5 O 6 Double Perovskite with Enhanced ORR/OER Bifunctional Catalytic Activity M Retuerto, F Calle-Vallejo, L Pascual, G Lumbeeck, MT Fernandez-Diaz, ... ACS Applied Materials & Interfaces 11 (24), 21454-21464 , 2019 2019 Citations: 187
AVPO 4 F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries SS Fedotov, NR Khasanova, AS Samarin, OA Drozhzhin, D Batuk, ... Chemistry of Materials 28 (2), 411-415 , 2016 2016 Citations: 173
3Y-TZP ceramics with improved hydrothermal degradation resistance and fracture toughness F Zhang, K Vanmeensel, M Inokoshi, M Batuk, J Hadermann, ... Journal of the European Ceramic Society 34 (10), 2453-2463 , 2014 2014 Citations: 150
Critical influence of alumina content on the low temperature degradation of 2–3 mol% yttria-stabilized TZP for dental restorations F Zhang, K Vanmeensel, M Inokoshi, M Batuk, J Hadermann, ... Journal of the European Ceramic Society 35 (2), 741-750 , 2015 2015 Citations: 147
Giant Magnetoresistance in the Half‐Metallic Double‐Perovskite Ferrimagnet Mn 2 FeReO 6 MR Li, M Retuerto, Z Deng, PW Stephens, M Croft, Q Huang, H Wu, ... Angewandte Chemie International Edition 54 (41), 12069-12073 , 2015 2015 Citations: 145
Tetrahedral Chain Order in the Sr 2 Fe 2 O 5 Brownmillerite H D’Hondt, AM Abakumov, J Hadermann, AS Kalyuzhnaya, MG Rozova, ... Chemistry of Materials 20 (22), 7188-7194 , 2008 2008 Citations: 141
Synthesis and Structural Characterization of La 1− x A x MnO 2.5 (A = Ba, Sr, Ca) Phases: Mapping the Variants of the Brownmillerite Structure TG Parsons, H D’Hondt, J Hadermann, MA Hayward Chemistry of Materials 21 (22), 5527-5538 , 2009 2009 Citations: 140
Effect of cation dopant radius on the hydrothermal stability of tetragonal zirconia: Grain boundary segregation and oxygen vacancy annihilation F Zhang, M Batuk, J Hadermann, G Manfredi, A Mariën, K Vanmeensel, ... Acta Materialia 106, 48-58 , 2016 2016 Citations: 124
Revealing pH-dependent activities and surface instabilities for Ni-based electrocatalysts during the oxygen evolution reaction C Yang, M Batuk, Q Jacquet, G Rousse, W Yin, L Zhang, J Hadermann, ... ACS Energy Letters 3 (12), 2884-2890 , 2018 2018 Citations: 118
Energy transfer in Eu^ 3+ doped scheelites: use as thermographic phosphor KW Meert, VA Morozov, AM Abakumov, J Hadermann, D Poelman, ... Optics express 22 (S3), A961-A972 , 2014 2014 Citations: 110
Bulk Magnetic Order in a Two-Dimensional ( ) Nickelate, Isoelectronic <?format ?>with Superconducting Cuprates VV Poltavets, KA Lokshin, AH Nevidomskyy, M Croft, TA Tyson, ... Physical review letters 104 (20), 206403 , 2010 2010 Citations: 109
Incommensurate Modulation and Luminescence in the CaGd 2(1– x ) Eu 2 x (MoO 4 ) 4(1– y ) (WO 4 ) 4 y (0 ≤ x ≤ 1, 0 ≤ y ≤ 1) Red Phosphors VA Morozov, A Bertha, KW Meert, S Van Rompaey, D Batuk, GT Martinez, ... Chemistry of Materials 25 (21), 4387-4395 , 2013 2013 Citations: 104
Insight into the mechanisms of high activity and stability of iridium supported on antimony-doped tin oxide aerogel for anodes of proton exchange membrane water electrolyzers VA Saveleva, L Wang, O Kasian, M Batuk, J Hadermann, JJ Gallet, ... ACS Catalysis 10 (4), 2508-2516 , 2020 2020 Citations: 102
In situ electron diffraction tomography using a liquid-electrochemical transmission electron microscopy cell for crystal structure determination of cathode materials for Li-ion … OM Karakulina, A Demortière, W Dachraoui, AM Abakumov, ... Nano letters 18 (10), 6286-6291 , 2018 2018 Citations: 101
Synthesis of MAX phases in the Zr-Ti-Al-C system B Tunca, T Lapauw, OM Karakulina, M Batuk, T Cabioc’h, J Hadermann, ... Inorganic Chemistry 56 (6), 3489-3498 , 2017 2017 Citations: 98
Structure and Magnetic Properties of BiFe 0.75 Mn 0.25 O 3 Perovskite Prepared at Ambient and High Pressure AA Belik, AM Abakumov, AA Tsirlin, J Hadermann, J Kim, G Van Tendeloo, ... Chemistry of Materials 23 (20), 4505-4514 , 2011 2011 Citations: 98
