Department Publications

2021

Journal Article

Fundamental Flaw in the Current Construction of the TiO2 Electron Transport Layer of Perovskite Solar Cells and Its Elimination

Y. Yan, C. Liu, Y. Yang, G. Hu, V. Tiwari, D.-e. Jiang, W. Peng, A. Jha, H.-G. Duan, F. Tellkamp, Y. Ding, W. Shi, S. Yuan, R. J. D. Miller, W. Ma, J. Zhao

ACS Applied Materials and Interfaces 13 (33), 39371–39378 (2021)

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Journal Article

Probing the formation and optical properties of Ti³⁺–TiO₂ with (001) exposed crystal facet by ethanol-assisted fluorination

J. Wang, W. Lin, S. Zhou, Z. Li, H. Hu, Y. Tao, S. Zhou, X. Zhaod, Y. Kong

New Journal of Chemistry 45 (28), 12453–12463 (2021)

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Journal Article

Serial Electron Diffraction Data Processing With diffractem and CrystFEL

R. Bücker, P. Hogan-Lamarre, R. J. D. Miller

Frontiers in Molecular Biosciences 8, 624264 (2021)

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Journal Article

A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip

B. Norton-Baker, P. Mehrabi, J. Boger, R. Schönherr, D. von Stetten, H. Schikora, A. O. Kwok, R. W. Martin, R. J. D. Miller, L. Redecke, E.-C. Schulz

Acta Crystallographica Section D: Structural Biology 77 (6), D77 (2021)

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Journal Article

X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease

S. Günther, P. Y. A. Reinke, Y. Fernández-García, J. Lieske, T. J. Lane, H. M. Ginn, F. H. M. Koua, C. Ehrt, W. Ewert, D. Oberthuer, O. Yefanov, S. Meier, K. Lorenzen, B. Krichel, J.-D. Kopicki, L. Gelisio, W. Brehm, I. Dunkel, B. Seychell, H. Gieseler, B. Norton-Baker, B. Escudero-Pérez, M. Domaracky, S. Saouane, A. Tolstikova, T. A. White, A. Hänle, M. Groessler, H. Fleckenstein, F. Trost, M. Galchenkova, Y. Gevorkov, C. Li, S. Awel, A. Peck, M. Barthelmess, F. Schlünzen, L. X. Paulraj, N. Werner, H. Andaleeb, N. Ullah, S. Falke, V. Srinivasan, B. A. Franca, M. Schwinzer, H. Brognaro, C. Rogers, D. Melo, J. J. Zaitsev-Doyle, J. Knoska, G. E. P. Murillo, A. R. Mashhour, F. Guicking, V. Hennicke, P. Fischer, J. Hakanpää, J. Meyer, P. Gribbon, B. Ellinger, M. Kuzikov, M. Wolf, A. R. Beccari, G. Bourenkov, D. von Stetten, G. Pompidor, I. Bento, S. Panneerselvam, I. Karpics, T. R. Schneider, M. M. G. Alai, S. Niebling, C. Günther, C. Schmidt, R. Schubert, H. Han, J. Boger, D. C. F. Monteiro, L. Zhang, X. Sun, J. Pletzer-Zelgert, J. Wollenhaupt, C. G. Feiler, M. S. Weiss, E.-C. Schulz, P. Mehrabi, K. Karničar, A. Usenik, J. Loboda, H. Tidow, A. Chari, R. Hilgenfeld, C. Uetrecht, R. Cox, A. Zaliani, T. Beck, M. Rarey, S. Günther, D. Turk, W. Hinrichs, H. N. Chapman, A. .R. Pearson, C. Betzel, A. Meents

Science 372 (6542), 642–646 (2021)

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Journal Article

Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison

P. Mehrabi, R. Bücker, G. Bourenkov, H. Ginn, D. von Stetten, H. M. Mueller-Werkmeister, A. Kuo, T. Morizumi, B. Eger, W.-L. Ou, S. Oghbaey, A. Sarracini, J. Besaw, O. Paré-Labrosse, S. Meier, H. Schikora, F. Tellkamp, A. Marx, D. A. Sherrell, D. Axford, R. L. Owen, O. P. Ernst, E. F. Pai, E.-C. Schulz, R. J. D. Miller

Science Advances 7 (12), eabf1380 (2021)

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Journal Article

Environmental Liquid Cell Technique for Improved Electron Microscopic Imaging of Soft Matter in Solution

S. Azim, L. Bultema, M. de Kock, E. R. Osorio-Blanco, M. Calderón, J. Gonschior, J.-P. Leimkohl, F. Tellkamp, R. Bücker, E.-C. Schulz, S. Keskin, N. de Jonge, G. Kassier, R. J. D. Miller

Microscopy and Microanalysis 27 (1), 44–53 (2021)

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2020

Journal Article

Serial synchrotron crystallography for time-resolved structural biology

A. R. Pearson, P. Mehrabi

Current Opinion in Structural Biology 65, 168–174 (2020)

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Journal Article

Determining the radial distribution function of water using electron scattering: A key to solution phase chemistry

M. de Kock, S. Azim, G. Kassier, R. J. D. Miller

The Journal of Chemical Physics 153 (19), 194504 (2020)

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Journal Article

The crystal structure of mycobacterial epoxide hydrolase A

E.-C. Schulz, S. R. Henderson, B. Illarionov, T. Crosskey, S. M. Southall, B. Krichel, C. Uetrecht, M. Fischer, M. Wilmanns

Scientific Reports 10 (1), 16539 (2020)

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Journal Article

Photoinduced Vibrations Drive Ultrafast Structural Distortion in Lead Halide Perovskite

H.-G. Duan, V. Tiwari, A. Jha, G. R. Berdiyorov, A. Akimov, O. Vendrell, P. K. Nayak, H. J. Snaith, M. Thorwart, Z. Li, M. E. Madjet, R. J. D. Miller

Journal of the American Chemical Society 142 (39), 16569–16578 (2020)

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Journal Article

Intermolecular vibrations mediate ultrafast singlet fission

H.-G. Duan, A. Jha, X. Li, V. Tiwari, H. Ye, P. K. Nayak, X.-L. Zhu, Z. Li, T. J. Martinez, M. Thorwart, R. J. D. Miller

Science Advances 6 (38), eabb0052 (2020)

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Journal Article

Human γS-Crystallin–Copper Binding Helps Buffer against Aggregation Caused by Oxidative Damage

K. W. Roskamp, S. Azim, G. Kassier, B. Norton-Baker, M. A. Sprague-Piercy, R. J. D. Miller, R. W. Martin

Biochemistry 59 (25), 2371–2385 (2020)

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Journal Article

Transient Raman Snapshots of the Twisted Intramolecular Charge Transfer State in a Stilbazolium Dye

S. Karmakar, A. Ambastha, A. Jha, A. Dharmadhikari, J. Dharmadhikari, R. Venkatramani, J. Dasgupta

The Journal of Physical Chemistry Letters 11 (12), 4842–4848 (2020)

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Journal Article

Excited-State Vibronic Dynamics of Bacteriorhodopsin from Two-Dimensional Electronic Photon Echo Spectroscopy and Multiconfigurational Quantum Chemistry

S. Gozem, P. J. M. Johnson, A. Halpin, H. L. Luk, T. Morizumi, V. Prokhorenko, O. P. Ernst, M. Olivucci, R. J. D. Miller

The Journal of Physical Chemistry Letters 11 (10), 3889–3896 (2020)

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Journal Article

Intramolecular vibrations enhance the quantum efficiency of excitonic energy transfer

H.-G. Duan, P. Nalbach, R. J. D. Miller, M. Thorwart

Photosynthesis Research 144 (2), 137–145 (2020)

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Journal Article

Compact Ho:YLF-pumped ZnGeP₂-based optical parametric amplifiers tunable in the molecular fingerprint regime

S. Cheng, G. Chatterjee, F. Tellkamp, T. Lang, A. Ruehl, I. Hartl, R. J. D. Miller

Optics Letters 45 (8), 2255–2258 (2020)

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Journal Article

Quantum biology revisited

J. Cao, R. J. Cogdell, D. F. Coker, H.-G. Duan, J. Hauer, U. Kleinekathöfer, T. L. C. Jansen, T. Mančal, R. J. D. Miller, J. P. Ogilvie, V. Prokhorenko, T. Renger, H.-S. Tan, R. Tempelaar, M. Thorwart, E. Thyrhaug, S. Westenhoff, D. Zigmantas

Science Advances 6 (14), eaaz4888 (2020)

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Journal Article

Direct observation of nuclear reorganization driven by ultrafast spin transitions

Y. Jiang, L. C. Liu, A. Sarracini, K. M. Krawczyk, J. S. Wentzell, C. Lu, E. L. Field, S. F. Matar, W. Gawelda, H. M. Müller-Werkmeister, R. J. D. Miller

Nature Communications 11 (1), 1530 (2020)

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