Publications

2024

• Maurer L., Pham Cv., Fritsch B., Jeppesen HS., Etter M., Hutzler A., Neder R., Wolf M., Auer F., Thiele S., Wasserscheid P.:
  Improving Hydrogen Release From Oxygen-Functionalized LOHC Molecules by Ru Addition to Pt/C Catalysts
  In: ChemCatChem (2024)
  ISSN: 1867-3880
  DOI: 10.1002/cctc.202400375
  BibTeX: Download
• Poppe R., Roth N., Neder R., Palatinus L., Iversen BB., Hadermann J.:
  Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction data
  In: IUCrJ 11 (2024), p. 82-91
  ISSN: 2052-2525
  DOI: 10.1107/S2052252523010254
  BibTeX: Download

2023

• Götz E., Neder R., Kolb U., Kleebe HJ.:
  The alteration of illite by Bad Nauheim and Gerolstein brine; Implications on fluid permeability in geothermal systems
  In: Applied Clay Science 243 (2023), Article No.: 107082
  ISSN: 0169-1317
  DOI: 10.1016/j.clay.2023.107082
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• Kaur N., Khanna A., Kaur P., Singh MN., Sinha AK., Neder R.:
  Comparative study of the short-range structure of α-V2O5, α-TeO2 and xV2O5-(100 - x)TeO2 glasses using X-ray diffraction, Rietveld analysis and reverse Monte Carlo simulations
  In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 79 (2023), p. 55-63
  ISSN: 2052-5192
  DOI: 10.1107/S2052520622011581
  BibTeX: Download
• Schmidt EM., Neder R., Martin JD., Minelli A., Lemée MH., Goodwin AL.:
  Direct interpretation of the X-ray and neutron three-dimensional difference pair distribution functions (3D-ΔPDFs) of yttria-stabilized zirconia
  In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 79 (2023), p. 138-147
  ISSN: 2052-5192
  DOI: 10.1107/S205252062300121X
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2022

• Leonardi A., Neder R., Engel M.:
  Efficient solution of particle shape functions for the analysis of powder total scattering data
  In: Journal of Applied Crystallography 55 (2022), p. 329-339
  ISSN: 0021-8898
  DOI: 10.1107/S1600576722001261
  BibTeX: Download
• Poppe R., Vandemeulebroucke D., Neder R., Hadermann J.:
  Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2
  In: IUCrJ 9 (2022), p. 695-704
  ISSN: 2052-2525
  DOI: 10.1107/S2052252522007746
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2021

• Bozin ES., Koch RJ., Mangelis P., Lei HC., Neder R., Mcdonnell M., Feygenson M., Petrovic C., Lappas A.:
  Correlated disorder-to-order crossover in the local structure of KxFe2-ySe2-zSz superconductor
  In: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, CHESTER: 2021
  DOI: 10.1103/PhysRevB.100.094108
  BibTeX: Download
• Poppe R., Vandemeulebroucke D., Neder R., Hadermann J.:
  Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2
  In: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, CHESTER: 2021
  BibTeX: Download
• Schmidt EM., Krysiak Y., Klar PB., Palatinus L., Neder R., Goodwin AL.:
  3D-Delta PDF from electron diffraction data
  In: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, CHESTER: 2021
  DOI: 10.1107/s0108767321095994
  BibTeX: Download

2020

• Berlinghof M., Langner S., Harreiß C., Schmidt E., Siris R., Bertram F., Shen C., Will J., Schindler T., Prihoda A., Rechberger S., Duesberg G., Neder R., Spiecker E., Brabec C., Unruh T.:
  Crystal-structure of active layers of small molecule organic photovoltaics before and after solvent vapor annealing
  In: Zeitschrift fur Kristallographie - Crystalline Materials 235 (2020), p. 15-28
  ISSN: 2196-7105
  DOI: 10.1515/zkri-2019-0055
  BibTeX: Download
• Krysiak Y., Marler B., Barton B., Plana-Ruiz S., Gies H., Neder R., Kolba U.:
  New zeolite-like RUB-5 and its related hydrous layer silicate RUB-6 structurally characterized by electron microscopy
  In: IUCrJ 7 (2020), p. 522-534
  ISSN: 2052-2525
  DOI: 10.1107/S2052252520003991
  BibTeX: Download
• Neder R., Proffen T.:
  Exact and fast calculation of the X-ray pair distribution function
  In: Journal of Applied Crystallography 53 (2020), p. 710-721
  ISSN: 0021-8898
  DOI: 10.1107/S1600576720004616
  BibTeX: Download

2019

• Gorelik TE., Neder R., Terban MW., Lee Z., Mu X., Jung C., Jacob T., Kaiser U.:
  Towards quantitative treatment of electron pair distribution function
  In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 75 (2019), p. 532-549
  ISSN: 2052-5192
  DOI: 10.1107/S205252061900670X
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• Mangelis P., Koch RJ., Lei H., Neder R., Mcdonnell MT., Feygenson M., Petrovic C., Lappas A., Bozin ES.:
  Correlated disorder-to-order crossover in the local structure of KxFe2-ySe2-zSz
  In: Physical Review B 100 (2019)
  ISSN: 0163-1829
  DOI: 10.1103/PhysRevB.100.094108
  BibTeX: Download
• Schmidt E., Neder R.:
  A DISORDERED SUPERSPACE APPROACH TO UNDERSTAND HIGHLY STRUCTURED DIFFUSE SCATTERING
  In: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, CHESTER: 2019
  DOI: 10.1107/S2053273319091162
  BibTeX: Download
• Schmidt E., Neder R.:
  Interpretation of diffuse scattering using superspace crystallography
  In: Physical Review B 100 (2019)
  ISSN: 0163-1829
  DOI: 10.1103/PhysRevB.100.054201
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2018

• Hans P., Neder R., Hradil K.:
  Analysis of short range phenomena in novel materials using the PDF-method
  In: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, CHESTER: 2018
  DOI: 10.1107/S2053273318093166
  BibTeX: Download
• Neder R.:
  Static structural analysis of condensed matter: from single-crystal to amorphous
  In: Theo Woike, Dominik Schaniel (ed.): Structures on Different Time Scales, 2018, p. 13-66
  DOI: 10.1515/9783110433920-002
  BibTeX: Download
• Schmidt E., Neder R.:
  Analysis of chemical short range order using single crystal diffuse scattering
  In: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, CHESTER: 2018
  DOI: 10.1107/S2053273318090423
  BibTeX: Download

2017

• Datta K., Neder R., Chen J., Neuefeind JC., Mihailova B.:
  Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: XBiMg1/2Ti1/2O3-(1-x)PbTiO3
  In: Scientific Reports 7 (2017), Article No.: 471
  ISSN: 2045-2322
  DOI: 10.1038/s41598-017-00530-z
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• Schmidt E., Neder R.:
  Diffuse single-crystal scattering corrected for molecular form factor effects
  In: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 73 (2017), p. 231-237
  ISSN: 2053-2733
  DOI: 10.1107/S2053273317002297
  BibTeX: Download
• Zhao H., Krysiak Y., Hoffmann K., Barton B., Molina-Luna L., Neder R., Kleebe HJ., Gesing TM., Schneider H., Fischer RX., Kolb U.:
  Elucidating structural order and disorder phenomena in mullite-type Al4B2O9 by automated electron diffraction tomography
  In: Journal of Solid State Chemistry 249 (2017), p. 114-123
  ISSN: 0022-4596
  DOI: 10.1016/j.jssc.2017.02.023
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2016

• Datta K., Richter A., Göbbels M., Keen DA., Neder R.:
  Direct mapping of microscopic polarization in ferroelectric x(BiScO3)-(1-x)(PbTiO3) throughout its morphotropic phase boundary
  In: Physical Review B - Condensed Matter and Materials Physics 93 (2016), Article No.: 064102
  ISSN: 1550-235X
  DOI: 10.1103/PhysRevB.93.064102
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• Mesch MB., Baerwinkel K., Krysiak Y., Martineau C., Taulelle F., Neder R., Kolb U., Senker J.:
  Solving the Hydrogen and Lithium Substructure of Poly(triazine imide)/LiCl Using NMR Crystallography
  In: Chemistry - A European Journal 22 (2016), p. 16876-16888
  ISSN: 0947-6539
  DOI: 10.1002/chem.201603726
  BibTeX: Download
• Scardi P., Billinge SJL., Neder R., Cervellino A.:
  Celebrating 100 years of the Debye scattering equation
  In: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES 72 (2016), p. 589-590
  ISSN: 2053-2733
  DOI: 10.1107/S2053273316015680
  BibTeX: Download
• Zobel M., Windmueller A., Schmidt E., Götz K., Milek T., Zahn D., Kimber SAJ., Hudspeth JM., Neder R.:
  The evolution of crystalline ordering for ligand-ornamented zinc oxide nanoparticles
  In: Crystengcomm 18 (2016), p. 2163-2172
  ISSN: 1466-8033
  DOI: 10.1039/c5ce02099a
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2015

• Bendeif E-., Gansmuller A., Hsieh K-., Pillet S., Woike T., Zobel M., Neder R., Bouazaoui M., El Hamzaoui H., Schaniel D.:
  Structure determination of molecular nanocomposites by combining pair distribution function analysis and solid-state NMR
  In: RSC Advances 5 (2015), p. 8895-8902
  ISSN: 2046-2069
  DOI: 10.1039/c4ra11470a
  BibTeX: Download
• Datta K., Richter A., Göbbels M., Neder R., Mihailova B.:
  Mesoscopic-scale structure and dynamics near the morphotropic phase boundary of (1-x)PbTiO3-xBiScO3
  In: Physical Review B - Condensed Matter and Materials Physics 92 (2015), Article No.: 024107
  ISSN: 1550-235X
  DOI: 10.1103/PhysRevB.92.024107
  BibTeX: Download
• Zobel M., Chatterjee H., Matveeva G., Kolb U., Neder R.:
  Room-temperature sol-gel synthesis of organic ligand-capped ZnO nanoparticles
  In: Journal of Nanoparticle Research 17 (2015)
  ISSN: 1388-0764
  DOI: 10.1007/s11051-015-3006-5
  BibTeX: Download
• Zobel M., Neder R., Kimber SAJ.:
  Universal solvent restructuring induced by colloidal nanoparticles
  In: Science 347 (2015), p. 292-294
  ISSN: 0036-8075
  DOI: 10.1126/science.1261412
  BibTeX: Download

2014

• Baklanova YV., Denisova TA., Maksimova LG., Tyutyunnik AP., Baklanova IV., Shein IR., Neder R., Tarakina NV.:
  Synthesis and characterisation of new MO(OH)(2) (M = Zr, Hf) oxyhydroxides and related Li2MO3 salts
  In: Dalton Transactions 43 (2014), p. 2755-2763
  ISSN: 1477-9226
  DOI: 10.1039/c3dt52929k
  BibTeX: Download
• Datta K., Richter A., Göbbels M., Neder R., Mihailova B.:
  Atomistic origin of huge response functions at the morphotropic phase boundary of (1-x)Na0.5Bi0.5TiO3-xBaTiO(3)
  In: Physical Review B 90 (2014)
  ISSN: 1098-0121
  DOI: 10.1103/PhysRevB.90.064112
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2013

• Tarakina NV., Tyutyunnik AP., Baklanova YV., Maksimova LG., Denisova TA., Neder R.:
  Crystal structure of a new HfO(OH)(2) oxyhydroxide
  DOI: 10.1017/S0885715613000791
  BibTeX: Download

2012

• Harrington R., Neder R., Parise JB.:
  The nature of x-ray scattering from geo-nanoparticles: Practical considerations of the use of the Debye equation and the pair distribution function for structure analysis
  In: Chemical Geology 329 (2012), p. 3-9
  ISSN: 0009-2541
  DOI: 10.1016/j.chemgeo.2011.06.010
  BibTeX: Download
• Kardash TY., Plyasova LM., Kochubey DI., Bondareva VM., Neder R.:
  Development of the local and average structure of a V-Mo-Nb oxide catalyst with Mo5O14-like structure during synthesis from nanostructured precursors
  In: Zeitschrift für Kristallographie 227 (2012), p. 288-298
  ISSN: 0044-2968
  DOI: 10.1524/zkri.2012.1507
  BibTeX: Download
• Kusz J., Zubko M., Neder R., Guetlich P.:
  Structural phase transition to disorder low-temperature phase in [Fe(ptz)(6)](BF4)(2) spin-crossover compounds
  In: Acta Crystallographica Section B: Structural Science 68 (2012), p. 40-56
  ISSN: 0108-7681
  DOI: 10.1107/S0108768111053298
  BibTeX: Download

2011

• Niederdraenk F., Seufert K., Stahl A., Bhalerao-Panajkar RS., Marathe S., Kulkarni SK., Neder R., Kumpf C.:
  Ensemble modeling of very small ZnO nanoparticles
  In: Physical Chemistry Chemical Physics 13 (2011), p. 498-505
  ISSN: 1463-9076
  DOI: 10.1039/c0cp00758g
  BibTeX: Download
• Page K., Hood TC., Proffen T., Neder R.:
  Building and refining complete nanoparticle structures with total scattering data
  In: Journal of Applied Crystallography 44 (2011), p. 327-336
  ISSN: 0021-8898
  DOI: 10.1107/S0021889811001968
  BibTeX: Download
• Page K., White CE., Estell EG., Neder R., Llobet A., Proffen T.:
  Treatment of hydrogen background in bulk and nanocrystalline neutron total scattering experiments
  In: Journal of Applied Crystallography 44 (2011), p. 532-539
  ISSN: 0021-8898
  DOI: 10.1107/S0021889811001609
  BibTeX: Download
• Rempel' AA., Vorokh AS., Neder R., Magerl A.:
  Disordered structure of cadmium sulphide nanoparticles
  DOI: 10.1134/S1027451011110152
  BibTeX: Download
• Shkodich NF., Rogachev AS., Vadchenko SG., Sachkova NV., Neder R., Magerl A.:
  Effect of mechanical activation on ignition and combustion of Ti-BN and Ti-SiC-C blends
  In: International Journal of Self-Propagating High-Temperature Synthesis 20 (2011), p. 191-199
  ISSN: 1061-3862
  DOI: 10.3103/S1061386211030113
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2010

• Tarakina NV., Neder R., Denisova TA., Maksimova LG., Baklanova YV., Tyutyunnik AP., Zubkov VG.:
  Defect crystal structure of new TiO(OH)(2) hydroxide and related lithium salt Li2TiO3
  In: Dalton Transactions 39 (2010), p. 8168-8176
  ISSN: 1477-9226
  DOI: 10.1039/c0dt00354a
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2009

• Horbaschk M., Benkert A., Schumacher C., Brunner K., Neder R.:
  Dynamics of strain relaxation studied by in situ x-ray diffraction immediately after layer heteroepitaxy
  In: Applied Physics Letters 94 (2009)
  ISSN: 0003-6951
  DOI: 10.1063/1.3143630
  BibTeX: Download