Physical and theoretical chemistry

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  1. 2022
  2. Combining crystallography with quantum mechanics

    Justin Bergmann, Esko Oksanen & Ulf Ryde, 2022 Feb, In: Current Opinion in Structural Biology. 72, p. 18-26 9 p.

    Research output: Contribution to journalReview article

  3. 2021
  4. Skin hydration as a tool to control the distribution and molecular effects of intermediate polarity compounds in intact stratum corneum

    Quoc Dat Pham, Sebastien Gregoire, Bruno Biatry, Guillaume Cassin, Daniel Topgaard & Emma Sparr, 2021 Dec 1, In: Journal of Colloid and Interface Science. 603, p. 874-885 12 p.

    Research output: Contribution to journalArticle

  5. In situ passivation of GaxIn(1−x)P nanowires using radial AlyIn(1−y)P shells grown by MOVPE

    Xulu Zeng, Wei Zhang, Xianshao Zou, Xiaojun Su, Arkady Yartsev & Magnus T. Borgström, 2021 Oct 15, In: Nanotechnology. 32, 42, 425705.

    Research output: Contribution to journalArticle

  6. Oxygen atom transfer catalysis by dioxidomolybdenum(VI) complexes of pyridyl aminophenolate ligands

    Kamal Hossain, Jörg A. Schachner, Matti Haukka, Michael G. Richmond, Nadia C. Mösch-Zanetti, Ari Lehtonen & Ebbe Nordlander, 2021 Sep 1, In: Polyhedron. 205, 115234.

    Research output: Contribution to journalArticle

  7. The piezotronic effect on carrier recombination processes in InGaN/GaN multiple quantum wells microwire

    Xianshao Zou, Jianqi Dong, Kang Zhang, Weihua Lin, Meiyuan Guo, Wei Zhang & Xingfu Wang, 2021 Sep 1, In: Nano Energy. 87, 106145.

    Research output: Contribution to journalArticle

  8. State of the Art and Prospects for Halide Perovskite Nanocrystals

    Amrita Dey, Marina Gerhard, Ivan Scheblykin, Robert L.Z. Hoye, Lakshminarayana Polavarapu & et al. et al., 2021 Jul 27, In: ACS Nano. 15, 7, p. 10775–10981 7 p.

    Research output: Contribution to journalArticle

  9. Ultrafast Spectroelectrochemistry Reveals Photoinduced Carrier Dynamics in Positively Charged CdSe Nanocrystals

    Alireza Honarfar, Pavel Chabera, Weihua Lin, Jie Meng, Hassan Mourad, Galina Pankratova, Lo Gorton, Kaibo Zheng & Tõnu Pullerits, 2021 Jul 8, In: Journal of Physical Chemistry C. 125, 26, p. 14332-14337 6 p.

    Research output: Contribution to journalArticle

  10. Double-chain cationic surfactants: Swelling, structure, phase transitions and additive effects

    Rui A. Gonçalves, Yeng Ming Lam & Björn Lindman, 2021 Jul 1, In: Molecules. 26, 13, 3946.

    Research output: Contribution to journalArticle

  11. Proton reduction by phosphinidene-capped triiron clusters

    Ahibur Rahaman, George C. Lisensky, Matti Haukka, Derek A. Tocher, Michael G. Richmond, Stephen B. Colbran & Ebbe Nordlander, 2021 Jun 21, In: Journal of Organometallic Chemistry. 943, 121816.

    Research output: Contribution to journalArticle

  12. Poly(styrene)- block-Maltoheptaose Films for Sub-10 nm Pattern Transfer: Implications for Transistor Fabrication

    Anette Löfstrand, Reza Jafari Jam, Karolina Mothander, Tommy Nylander, Muhammad Mumtaz, Alexei Vorobiev, Wen Chang Chen, Redouane Borsali & Ivan Maximov, 2021 May 28, In: ACS Applied Nano Materials. 4, 5, p. 5141–5151 11 p.

    Research output: Contribution to journalArticle

  13. Deconvoluting Energy Transport Mechanisms in Metal Halide Perovskites Using CsPbBr3 Nanowires as a Model System

    Eitan Oksenberg, Calvin Fai, Ivan G. Scheblykin, Ernesto Joselevich, Eva L. Unger, Thomas Unold, Charles Hages & Aboma Merdasa, 2021 May 26, In: Advanced Functional Materials. 31, 22, 2010704.

    Research output: Contribution to journalArticle

  14. Critical evaluation of a crystal structure of nitrogenase with bound N2 ligands

    Justin Bergmann, Esko Oksanen & Ulf Ryde, 2021 May 1, In: Journal of Biological Inorganic Chemistry. 26, 2-3, p. 341–353 13 p.

    Research output: Contribution to journalArticle

  15. Design of robust 2,2′-bipyridine ligand linkers for the stable immobilization of molecular catalysts on silicon(111) surfaces

    Samantha Johnson, James D. Blakemore, Bruce S. Brunschwig, Nathan S. Lewis, Harry B. Gray, William A., III Goddard & Petter Persson, 2021 Apr 28, In: Physical Chemistry Chemical Physics. 23, 16, p. 9921-9929 9 p.

    Research output: Contribution to journalArticle

  16. Membrane Interactions of Virus-like Mesoporous Silica Nanoparticles

    Sara Malekkhaiat Häffner, Elisa Parra-Ortiz, Kathryn L. Browning, Elin Jørgensen, Maximilian W.A. Skoda, Costanza Montis, Xiaomin Li, Debora Berti, Dongyuan Zhao & Martin Malmsten, 2021 Apr 27, In: ACS Nano. 15, 4, p. 6787-6800 14 p.

    Research output: Contribution to journalArticle

  17. Neutron reflectometry and NMR spectroscopy of full-length Bcl-2 protein reveal its membrane localization and conformation

    Ameeq Ul Mushtaq, Jörgen Ådén, Luke A. Clifton, Hanna Wacklin-Knecht, Mario Campana, Artur P.G. Dingeldein, Cecilia Persson, Tobias Sparrman & Gerhard Gröbner, 2021 Apr 27, In: Communications Biology. 4, 1, 507.

    Research output: Contribution to journalArticle

  18. Simulations of light collection in long tapered CsI(Tl) scintillators using real crystal surface data and comparisons to measurement

    A. Knyazev, J. Park, P. Golubev, J. Cederkäll, H. Alvarez-Pol, J. Benlliure, P. Cabanelas, E. Casarejos, L. Causeret, D. Cortina-Gil, P. Díaz Fernández, M. Feijoo, D. Galaviz, E. Galiana, R. Gernhäuser, D. Gonzalez, A.-L. Hartig, A. Heinz, B. Heiss, H.T. Johansson & 12 others, P. Klenze, T. Kröll, A. Perea, L. Ponnath, Z. Ren, H.-B. Rhee, J.L. Rodríguez-Sánchez, G. Rondeau, O. Tengblad, I.G. Scheblykin, P. Teubig & R. Timm, 2021 Apr 1, In: Nuclear Instruments & Methods in Physics Research. Section A: Accelerators, Spectrometers, Detectors, and Associated Equipment. 1003, 10 p., 165302.

    Research output: Contribution to journalArticle

  19. Stability assessment of p-i-n perovskite photovoltaic mini-modules utilizing different top metal electrodes

    Janardan Dagar, Gopinath Paramasivam, Carola Klimm, Markus Fenske, Christof Schultz, Rutger Schlatmann, Bert Stegemann & Eva Unger, 2021 Apr 1, In: Micromachines. 12, 4, 423.

    Research output: Contribution to journalArticle

  20. Probing roto-translational diffusion of small anisotropic colloidal particles with a bright-field microscope

    Fabio Giavazzi, Antara Pal & Roberto Cerbino, 2021 Apr, In: European Physical Journal E. 44, 4, 61.

    Research output: Contribution to journalArticle

  21. Composition effects on photooxidative membrane destabilization by TiO2 nanoparticles

    S. Malekkhaiat Häffner, E. Parra-Ortiz, M. W.A. Skoda, T. Saerbeck, Kathryn Louise Browning & M. Malmsten, 2021 Feb 15, In: Journal of Colloid and Interface Science. 584, p. 19-33 15 p.

    Research output: Contribution to journalArticle

  22. Effects of Environment on Charge Recombination in Organo-Metal-Halide Perovskite Observed by Photoluminescence Microscopy and Spectroscopy

    Jun Li, 2021 Feb 11, Media-Tryck ed. Sweden: Lund University. 169 p.

    Research output: ThesisDoctoral Thesis (monograph)

  23. QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues

    Sonia Jafari, Ulf Ryde & Mehdi Irani, 2021 Feb 5, In: Journal of Chemical Theory and Computation. 17, 3, p. 1822−1841 20 p.

    Research output: Contribution to journalArticle

  24. On the physico-chemical properties of softwood hemicellulose and compounds derived from it

    Polina Naidjonoka, 2021 Jan 15, Lund: MediaTryck Lund. 230 p.

    Research output: ThesisDoctoral Thesis (compilation)

  25. Revisiting the dissolution of cellulose in H3PO4(aq) through cryo-TEM, PTssNMR and DWS

    Luís Alves, Bruno Medronho, Alexandra Filipe, Anabela Romano, Maria G. Rasteiro, Björn Lindman, Daniel Topgaard, Irina Davidovich & Yeshayahu Talmon, 2021 Jan 15, In: Carbohydrate Polymers. 252, 117122.

    Research output: Contribution to journalArticle

  26. Charge Carrier Dynamics in Novel Solar Materials: Ultrafast Spectroelectrochemistry

    Alireza Honarfar, 2021 Jan 12, Lund: MediaTryck Lund. 207 p.

    Research output: ThesisDoctoral Thesis (compilation)

  27. 20.8% Slot-Die Coated MAPbI3 Perovskite Solar Cells by Optimal DMSO-Content and Age of 2-ME Based Precursor Inks

    Jinzhao Li, Janardan Dagar, Oleksandra Shargaieva, Marion A. Flatken, Hans Köbler, Markus Fenske, Christof Schultz, Bert Stegemann, Justus Just, Daniel M. Többens, Antonio Abate, Rahim Munir & Eva Unger, 2021, In: Advanced Energy Materials. 11, 10, 2003460.

    Research output: Contribution to journalArticle

  28. Acid-triggering of light-induced charge-separation in hybrid organic/inorganic molecular photoactive dyads for harnessing solar energy

    Elisabetta Benazzi, Joshua Karlsson, Youssef Ben M'Barek, Pavel Chabera, Sébastien Blanchard, Sandra Alves, Anna Proust, Tönu Pullerits, Guillaume Izzet & Elizabeth A. Gibson, 2021, In: Inorganic Chemistry Frontiers. 8, 6, p. 1610-1618 9 p.

    Research output: Contribution to journalArticle

  29. Adsorption of Anionic Dyes Using a Poly(styrene-block-4-vinylpyridine) Block Copolymer Organogel

    Sanjeevi Prasath Sridhar, Jacob John, Peter Holmqvist, Ulf Olsson, Saravanan Chandran & Brijitta Joseph, 2021, In: Langmuir : the ACS journal of surfaces and colloids. 37, 13, p. 3996-4006 11 p.

    Research output: Contribution to journalArticle

  30. A dual-interfacial system with well-defined spatially separated redox-sites for boosting photocatalytic overall H2S splitting

    Meng Dan, Fan Wu, Jianglai Xiang, Yuehan Cao, Yunqian Zhong, Kaibo Zheng, Yang Liu, Zhao Qing Liu, Shan Yu & Ying Zhou, 2021, In: Chemical Engineering Journal. 423, 130201.

    Research output: Contribution to journalArticle

  31. Anisotropic dynamics of magnetic colloidal cubes studied by X-ray photon correlation spectroscopy

    Antara Pal, Md Arif Kamal, Thomas Zinn, Jan K.G. Dhont & Peter Schurtenberger, 2021, In: Physical Review Materials. 5, 3, 035603.

    Research output: Contribution to journalArticle

  32. Atomic-Scale Observation of Oxygen Vacancy-Induced Step Reconstruction in WO3

    Jie Meng, Zhenyun Lan, Ivano E. Castelli & Kaibo Zheng, 2021, In: Journal of Physical Chemistry C. 125, 15, p. 8456–8460

    Research output: Contribution to journalArticle

  33. Beyond hydrogen production: Solar−driven H2S−donating value−added chemical production over MnxCd1−xS/CdyMn1−yS catalyst

    Meng Dan, Jianglai Xiang, Jian Yang, Fan Wu, Chunqiu Han, Yunqian Zhong, Kaibo Zheng, Shan Yu & Ying Zhou, 2021, In: Applied Catalysis B: Environmental. 284, 119706.

    Research output: Contribution to journalArticle

  34. Charge Interactions in a Highly Charge-Depleted Protein

    Stefan Hervø-Hansen, Casper Højgaard, Kristoffer Enøe Johansson, Yong Wang, Khadija Wahni, David Young, Joris Messens, Kaare Teilum, Kresten Lindorff-Larsen & Jakob Rahr Winther, 2021, In: Journal of the American Chemical Society. 143, 6, p. 2500–2508

    Research output: Contribution to journalArticle

  35. Complex by design: Hydrotrope-induced micellar growth in deep eutectic solvents

    Adrian Sanchez-Fernandez, Anna E. Leung, Elizabeth G. Kelley & Andrew J. Jackson, 2021, In: Journal of Colloid and Interface Science. 581, p. 292-298 7 p.

    Research output: Contribution to journalArticle

  36. Compositional and Interfacial Engineering Yield High-Performance and Stable p-i-n Perovskite Solar Cells and Mini-Modules

    Janardan Dagar, Markus Fenske, Amran Al-Ashouri, Christof Schultz, Bor Li, Hans Köbler, Rahim Munir, Gopinath Parmasivam, Jinzhao Li, Igal Levine, Aboma Merdasa, Lukas Kegelmann, Hampus Näsström, Jose A. Marquez, Thomas Unold, Daniel M. Többens, Rutger Schlatmann, Bert Stegemann, Antonio Abate, Steve Albrecht & 1 others, Eva Unger, 2021, In: ACS applied materials & interfaces. 13, 11, p. 13022-13033 12 p.

    Research output: Contribution to journalArticle

  37. Computing and visualising intra-voxel orientation-specific relaxation–diffusion features in the human brain

    João P. de Almeida Martins, Chantal M.W. Tax, Alexis Reymbaut, Filip Szczepankiewicz, Maxime Chamberland, Derek K. Jones & Daniel Topgaard, 2021, In: Human Brain Mapping. 42, 2, p. 310-328

    Research output: Contribution to journalArticle

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