DEGAS Publications


The effect of crystallite size on pressure amplification in switchable porous solids, S. Krause, V. Bon, I. Senkovska, D. Többens, D. Wallacher, R. Pillai, G. Maurin, S. Kaskel, Nature Communications 9, 1573 (2018)


A ferroelectric liquid crystal confined in cylindrical nanopores: reversible smectic layer buckling, enhanced light rotation and extremely fast electro-optically active Goldstone excitations, M. Busch, A.V. Kityk, W. Piecek, T. Hofmann, D. Wallacher, S. Calus, M. Steinhart, M. Eich, P. Huber, Nanoscale 9, 19086 (2017)
Correlating Pore Size and Shape to Local Disorder in Microporous Carbon: A Combined Small Angle Neutron and X-ray Scattering Study, C.J. Jafta, A. Petzold, S. Risse, D. Clemens, D. Wallacher, G. Goerigk, M. Ballauff Carbon 123, 440 (2017)
A Stimuli-Responsive Zirconium Metal–Organic Framework Based on Supermolecular Design, S. Krause, I. Senkovska, V. Bon, D. Többens, D. Wallacher, S. Kaskel, U. Stoeck, Angew. Chem. 129, 10816 (2017)
Phonons in mesoporous silicon: the influence of nanostructuring on the dispersion in the Debye regime, T. Hofmann, D. Wallacher, R. Toft-Petersen, B. Ryll, M. Reehuis, K. Habicht, Microporous and Mesoporous Materials 243, 263 (2017)
In situ monitoring of unique switching transitions in the pressure-amplifying flexible framework material DUT-49 by high-pressure 129Xe NMR spectroscopy, J. Schaber, S. Krause, S. Paasch, I. Senkovska, V. Bon, D. Többens, D. Wallacher, S. Kaskel, E. Brunner, Journal of Physical Chemistry C 121, 5195 (2017)
Oxygen release from BaLnMn2O6 (Ln: Pr, Nd, Y) under reducing conditions as studied by neutron diffraction, A. Klimkowicz, K. Świerczek, K. Zheng, D. Wallacher, A. Takasaki, Journal of Materials Science 52, 6476 (2017)
In Situ Hydrogenation of the Zintl Phase SrGe, H. Auer, D. Wallacher, T.C. Hansen, H. Kohlmann, Inorganic Chemistry 56, 1072 (2017)
Conformation-controlled hydrogen storage in the CAU-1 metallic organic framework, M.C. Schlegel, D. Többens, R. Svetogorov, M. Krüger, N. Stock, H. Reinsch, D. Wallacher, R. Stewart, M. Russina, Physical Chemistry Chemical Physics 18, 29258 (2016)
Gaining Insights on the H2 – Sorbent Interactions: Robust soc-MOF Platform as a Case Study, A.J. Cairns, J. Eckert, L. Wojtas, M. Thommes, D. Wallacher, P.A. Georgiev, P.M. Forster, Y. Belmabkhout, J. Ollivier, M. Eddaoudi, Chemistry of Materials 28, 7353 (2016)

Illuminating solid gas storage in confined spaces–methane hydrate formation in porous model carbons, L. Borchardt, W. Nickel, M. Casco, I. Senkovska, V. Bon, D. Wallacher, N. Grimm, S. Krause, J. Silvestre-Albero, Phys. Chem.Chem. Phys. 18, 20607 (2016)

A pressure-amplifying framework with negative gas adsorption transitions, S. Krause, V. Bon, I. Senkovska, U. Stoeck, D. Wallacher, D. Többens, S. Zander, R.S. Pillai, G. Maurin, F.X. Coudert, S. Kaskel, Nature 532, 348 (2016)

Formation of Periodically Arranged Nanobubbles in Mesopores: Capillary Bridge Formation and Cavitation during Sorption and Solidification in an Hierarchical Porous SBA-15 Matrix, T. Hofmann, D. Wallacher, J. Perlich, S. Koyiloth Vayalil, P. Huber, Langmuir 32, 2928 (2016)

Tuning the flexibility in MOFs by SBU functionalization, V. Bon, N. Kavoosi, I. Senkovska, P. Müller, J. Schaber, D. Wallacher, D.M. Többens, U. Mueller, S. Kaskel, Dalton Trans. 45, 4407 (2016)
Hydraulic transport across hydrophilic and hydrophobic nanopores: Flow experiments with water and n-hexane, S. Grüner, D. Wallacher, S. Greulich, M. Busch, P. Huber, Phys. Rev. E 93, 013102 (2016)
Characteristics of flexibility in metal-organic framework solid solutions of composition [Zn2(BME-bdc)x(DB-bdc)2-xdabco]n: In situ powder X-ray diffraction, in situ NMR spectroscopy, and molecular dynamics simulations, V. Bon, J. Pallmann, E. Eisbein, H.C. Hoffmann, I. Senkovska, I. Schwedler, A. Schneemann, S. Henke, D. Wallacher, R. A. Fischer, G. Seifert, E. Brunner, S. Kaskel, Microporous and Mesoporous Materials 216, 64 (2015)
Elucidating the Sorption Mechanism of Dibromomethane in Disordered Mesoporous Silica Adsorbents, D. Stoeckel, D. Wallacher, G. Zickler, M. Thommes, B. Smarsly, Langmuir 31, 6332 (2015)

Exceptional adsorption-induced cluster and network deformation in the flexible metal–organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS, V. Bon, I. Senkovska, N. Klein, A. Heerwig, J. Getzschmann, D. Wallacher, I. Zizak, M. Brzhezinskaya, U. Müller, S. Kaskel, Phys. Chem. Chem. Phys. 17, 17471 (2015)

Controlled Pore Formation on Mesoporous Single Crystalline Silicon Nanowires: Threshold and Mechanisms, S. Weidemann, M. Kockert, D. Wallacher, M. Ramsteiner, A. Mogilatenko, K. Rademann, S.F. Fischer, J. Nanomaterials 2015, 672305 (2015)

Hydrogenation properties of LixSr1-xAlSi studied by quantum-chemical methods (0≤x≤1) and in-situ neutron powder diffraction (x=1), N. Kunkel, C. Reichert, M. Springborg, D. Wallacher, H. Kohlmann, J. Solid State Chem. 221, 318 (2015)

Poly(ionic liquid)-derived Nanoporous Carbon Analyzed by Combination of Gas Physisorption and Small-Angle Neutron Scattering, S. Mascotto, D. Kuzmicz, D. Wallacher, M. Siebenbürger, D. Clemens, S. Risse, J. Yuan, M. Antonietti, M. Ballauff, Carbon 82, 425 (2015)

Sorption Phase of Supercritical CO2 in Silica Aerogel: Experiments and Mesoscale Computer Simulations

G. Rother, L. Vlcek, M.S. Gruszkiewicz, A.A. Chialvo, L.M. Anovitz, J.L. Banuelos, D. Wallacher, N. Grimm, D.R. Cole,  J. Phys. Chem. C 118, 15525 (2014)

Coherent Analysis of Disordered Mesoporous Adsorbents using Small Angle X-Ray Scattering and Physisorption Experiments

D. Stoeckel, D. Wallacher, G.A. Zickler, U. Tallarek, B. Smarsly, Phys. Chem. Chem. Phys. 16, 6583 (2014)

Solid Phases of Spatially Nanoconfined Oxygen

D. Kojda, D. Wallacher, S. Baudoin, T.C. Hansen, P. Huber, T. Hofmann, J. Chem. Phys. 140, 24705 (2014)

In situ observation of gating phenomena in the flexible porous coordination polymer Zn2(BPnDC)2(bpy) (SNU-9) in a combined diffraction and gas adsorption Experiment

V. Bon, I. Senkovska, D. Wallacher, D. Többens, I. Zizak, R. Feyerherm, U. Müller, S. Kaskel, Inorganic Chemistry 53, 1513 (2014)

In situ monitoring of structural changes during the adsorption on flexible porous coordination polymers by X-ray powder diffraction: Instrumentation and experimental results

I. Senkovska, V. Bon, D. Wallacher, A. Heerwig, N. Klein, I. Zizak, R. Feyerherm, E. Dudzik, S. Kaskel, Microporous and Mesoporous Materials 188, 190 (2014)


Growth of Highly Oriented Deuterium Crystals in Silicon Nanochannels

T. Hofmann, P. Kumar, E. Wheeler, M. Enderle, D. Wallacher, Phys. Rev. Letters 110, 065505 (2013)

CO2 Adsorption to Sub-Single Hydration Layer Montmorillonite Clay Studied by Excess Sorption and Neutron Diffraction

G. Rother, E.S. Ilton, D. Wallacher, T. Hauß,  H.T. Schaef, O. Qafoku, K.M. Rosso, A.R. Felmy, E.G. Krukowski, A. Stack, R.J. Bodnar, Environmental Science & Technology 47, 205 (2013)


Deformation mechanism of nanoporous materials upon water freezing and melting

M. Erko, D. Wallacher, O. Paris, Appl. Phys. Lett. 101, 181905 (2012)

Repeated sorption of water in SBA-15 investigated by means of in-situ small-angle X-ray scattering

M. Erko, D. Wallacher, G.H. Findenegg, O. Paris, J. Phys.: Condens. Matter 24, 284112 (2012)

Distribution of functional groups in periodic mesoporous organosilica materials studied by small-angle neutron scattering with in situ adsorption of nitrogen

M. Sharif, D. Wallacher, M. Wark, Beilstein J. Nanotechnol. 3, 428 (2012)

Direct Measurements of  Pore Fluid Density by Vibrating Tube Densimetry

M. S. Gruszkiewicz, G. Rother, D.J. WesolowskiD.R. Cole, D. Wallacher, Langmuir 28, 5070 (2012)

Probing the Room Temperature Deuterium Absorption Kinetics in Nanoscale Magnesium Based Hydrogen Storage Multilayers Using Neutron Reflectometry, X-ray Diffraction and Atomic Force Microscopy

P. Kalisvaart, E. Poirier, C.T. Harrower, A. Teichert , D. Wallacher, N. Grimm, R. Steitz, H. Fritzsche, D. Mitlin, J. Phys. Chem. C 116, 5868 (2012)

Molecular dynamics of n-hexane: A quasi-elastic neutron scattering study on the bulk and spatially nanochannel-confined liquid, T. Hofmann

D. Wallacher, M. Mayorova, R. Zorn B. Frick, P. Huber,  J. Chem. Phys. 136, 124505 (2012)

Density minimum of confined water at low temperatures: A combined study by small-angle scattering of X-rays and neutrons

M. Erko, D. Wallacher, A. Hoell, T. Hauß, I. Zizak, O. Paris, Phys. Chem. Chem. Phys. 14, 3852 (2012)

Towards room temperature, direct, solvent free synthesis of tetraborohydrides

A. Remhof, Y. Yan, O. Friedrichs, J.W. Kim, Ph. Mauron, A. Borgschulte, D. Wallacher, A. Buchsteiner, A. Hoser, K.H. Oh, Y.W. Cho, A. Züttel, J. Phys.: Conf. Ser. 340, 12111 (2012)

In situ neutron diffraction under high pressure—Providing an insight into working catalysts

T. Kandemir, D. Wallacher, T. Hansen, K.D. Liss , R. Naumann d’Alnoncourt, R. Schlögl, M. Behrens, Nuclear Instruments and Methods in Physics Research Section A 673, 51 (2012)

Pore size effects on the sorption of supercritical carbon dioxide in mesoporous CPG-10 silica, with application to carbon dioxide storage in quartz-rich reservoirs

G. Rother, E.J. Krukowski, D. Wallacher, N. Grimm, R.J. Bodnar, D.R. Cole, J. Phys. Chem. C 116, 917  (2012)


Gas-solid synthesis of LiBD4 studied by in-situ neutron diffraction

A. Remhof, O. Friedrichs, J.W. Kim, A. Borgschulte, A. Züttel, D. Wallacher, A. Hoser, ECNS Prag 2011 Proceedings: Journal of Physics: Conference Series (JPCS)  (2011)

Flexible  and Hydrophobic Zn-Based Metal-Organic Framework

I.M. Hauptvogel, R. Biedermann, N. Klein, I. Senkovska, A. Cadiau, D. Wallacher, R. Feyerherm, S. Kaskel, Inorg. Chem. 50,  8367 (2011)

Deuterium absorption in Mg70Al30 thin films with bilayer catalysts: A comparative neutron reflectometry study

E. Poirier, C.T. Harrower , P. Kalisvaart , A. Birda , A. Teichert, D. Wallacher, N. Grimm, R. Steitz, D. Mitlin, H. Fritzsche, J. Alloys and Compounds 509, 5466  (2011)

Detection of homogeneous distribution of functional groups in mesoporous silica by small angle neutron scattering and in-situ adsorption of nitrogen or water

M. Sharifi, R. Marschall, D. Wallacher, M. Wark, Langmuir  27, 5516 (2011)


In situ Neutron Diffraction Study of a Methanol Synthesis Catalyst under Working Conditions

T. Kandemir, D. Wallacher, M. Tovar, M. Behrens, Z. Anorg. Allg. Chem. 636, 2088  (2010)

Methane storage mechanism in the  Metal-Organic Framework Cu3(btc)2: An in situ neutron diffraction study

J. Getzschmann, I. Senkovska, D. Wallacher, M. Tovar, D. Fairen-Jimenez, T. Düren, J. M. van Baten, R. Krishna, S. Kaskel, Microporous & Mesoporous Materials 136, 50 (2010)

BH4-Self-Diffusion in Liquid LiBH4

P. Martelli, A. Remhof, A. Borgschulte, P. Mauron, D. Wallacher, E. Kemner, M. Russina, F. Pendolino, A. Züttel, J.  Phys. Chem. A 114, 10117 (2010)

Core shell structure for solid gas synthesis of LiBD4

O. Friedrichs, J.W. Kim, A. Remhof, D. Wallacher, A. Hoser, Y.W. Cho, K.H. Oh, A. Züttel, Phys. Chem. Chem.  Phys. 12, 4600 (2010)

Adsorption in Periodically Ordered Mesoporous Organosilica Materials Studied by in-situ Small-angle X-ray Scattering and Small-angle Neutron Scattering

S. Mascotto, D.  Wallacher, A. Kuschel, S. Polarz , G. Zickler, A. Timmann,  B. Smarsly, Langmuir 26, 6583 (2010)

In-situ Small-Angle Neutron Scattering Study of Pore Filling and Pore Emptying in Ordered Mesoporous Silica

M. Erko, D. Wallacher, A. Brandt, O. Paris, J. App. Cryst. 43, 1 (2010)


Hydrogen cycling behavior of LiBD4/Al studied by in situ neutron diffraction

A. Remhof, O. Friedrichs, F. Buchter, P. Mauron, J.W. Kim, K.H. Oh, A. Buchsteiner, D. Wallacher, A. Züttel, J. Alloys and Compounds 484, 654 (2009)

Analysis of Microporosity in Ordered Mesoporous Hierarchically Structured Silica by Combining Physisorption With in Situ Small-Angle Scattering (SAXS and SANS)

S. Mascotto, D. Wallacher, A. Brandt, T. Hauss, M. Thommes, G. Zickler, S. Funari, A. Timmann, B. M. Smarsly, Langmuir 25, 12670 (2009)

Improving  the Hydrogen Adsorption Properties of a Hydroxyl-Modified(Al) Structural A MIL-53nalogue by Li-Doping

D. Himsel, D. Wallacher, M. Hartmann, Angewandte Chemie – International Edition 48, 4639 (2009)

Formation of Cross-Linked Chloroperoxidase Aggregates in the Pores of Mesocellular Foams: Characterization by SANS and Catalytic Properties

D. Jung, M. Paradiso, D. Wallacher, A. Brandt, M. Hartmann, ChemSusChem 2, 161 (2009)

The effect of Al on the hydrogen sorption mechanism of LiBH4

O. Friedrich, J.W. Kim, A. Remhof, F. Buchter, A. Borgschulte, D. Wallacher, Y. W. Cho, M. Fichtner, K. H. Oh, A. Züttel, J. Phys. Chem. Chem. Phys. 11, 1515 (2009)

Solid state synthesis of LiBD4 observed by in-situ neutron diffraction, A. Remhof, O. Friedrichs, F. Buchter, D. Wallacher, and A. Züttel, J. Phys. Chem. Chem. Phys. 10, 5859 (2008)

On the Nitrogen Sorption Mechanism in Silica with hierarchical mesoporosity studied by in-situ Small-Angle Neutron Scattering

O. Sel, M. Thommes, A. Brandt, D. Wallacher, B. Smarsly, Langmuir 23, 4724 (2007)