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04.02.2025
Our paper entitled „Combinatorial Ab Initio Calculations and Core Spectroscopy Unravel the Electronic Structure of Nickel Cobalt Manganese Oxide” has been accepted for publication in Scientific Reports. Congratulations to Timo and Daniel as well as to our cooperation partners at HZB for this excellent piece of work.
30.01.2025
Our paper entitled „Electronic properties of MoSe2 nanowrinkles” has been selected for the themed collection: Nanoscale Most Popular 2024. Congratulations to Stefan and Jannis for this achievement!
16.01.2025
Jannis Krumland defended today his doctoral thesis entitled „Advancing Density-Functional Methods for Simulating Low-Dimensional Materials from First Principles”. Congratulations, Dr. Jannis!
09.01.2025
Our paper entitled „Crystal structure prediction of Cs-Te with Crystal structure prediction of Cs-Te with supervised machine learning.” has been accepted for publication in Advanced Theory & Simulations. Congratulations to Holger for this great work!
02.01.2025
Our paper entitled „Electronic and optical properties of computationally predicted Na-K-Sb crystals” has been accepted for publication in Electronic Structure. Congratulations to Chung and Richard for this great work and special thanks to the program DAAD-RISE for sponsoring this project.
23.12.2024
Our paper entitled „Mitigating triplet loss in 2D WSe2/non-fullerene heterostructures using halogenated acceptors” has been accepted for publication in Materials Horizons. Congratulations to Ana for this great work and special thanks to Dieter Neher (University of Potsdam) for involving us in this nice collaboration!
26.11.2024
Jannik Theile defended today his Master’s thesis entitled „Photoinduced charge transfer and photophysics of DTP molecules”. Congratulations, Hilde, great job!
30.10.2024
Our paper entitled „Strain-engineered level-alignment in MoTe2/WSe2 heterobilayer” has been accepted for publication in Physica Status Solidi – Rapid Research Letters. Congratulations to Sufyan for this great piece of work!
25.10.2024
Our paper „Ultrafast Time-Domain Spectroscopy Reveals Coherent Vibronic Couplings Upon Electronic Excitation in Crystalline Organic Thin Films” has been accepted for publication in J. Phys. Chem. Lett. Congratulations to Ana and Michele, and many thanks to our experimental partners from Oldenburg and Marburg for involving us in this this exciting cooperation!
11.10.2024
Hilde Bellersen defended today her Master’s thesis entitled „Ultrafast Photoexcitation of Semiconducting Photocathode Materials”. Congratulations, Hilde, well done!
20.09.2024
Our paper „Mapping the energy-momentum dispersion of hBN excitons and hybrid plasmons in hBN-WSe2 heterostructures” has been accepted for publication in npj 2D Mater. Appl. Congratulations to Juan Pablo and Ana for their great work and our colleagues at the Humboldt University for this fruitful cooperation!
19.09.2024
Our paper „Air stability of monolayer WSi2N4 in dark and bright conditions” has been accepted for publication in Scientific Reports. Congratulations to Mustapha and Sufyan for this excellent research!
12.09.2024
Our paper „Determination of the β to γ Phase Transformation Mechanism in Sc- and Al-Alloyed β-Ga2O3 Crystals” has been accepted for publication in ACS Appl. Electron. Mater. Congratulations to Daniel for this great work and to our colleagues at Penn State for this fruitful cooperation!
29.08.2024
Jannek Räder defended today his Master’s thesis entitled „Laser-Induced Ultrafast Charge Transfer in the 4T:C60 Complex”. Congratulations, Jannek!
21.08.2024
Holger Saßnick defended today his doctoral thesis entitled „High-Throughput Modeling of Cs-Te Photocathode Materials using Density Functional Theory”. Congratulations, Dr. Holger!
19.08.2024
Our paper „Stability and electronic properties of K-Sb and Na-Sb binary crystals from high-throughput ab initio calculations” has been accepted for publication in Advanced Theory and Simulations. Congratulations to Richard, Daniel, and Holger for this great work!
08.08.2024
Our paper „Optical coherence tomography of van der Waals heterostructures using extreme ultraviolet light” has been accepted for publication in Advanced Materials Interfaces. Congratulations to Juan Pablo and Ana for this nice work and to all our collaborators in Jena for taking us onboard!
05.07.2024
Our paper „Ultrafast charge carrier dynamics of methylammonium lead iodide from first principles” has been published in Electronic Structure. Thanks to Ariel and Henry for this cooperation and Michele for joining it!
05.07.2024
Our paper „Strain-free MoS2/ZrGe2N4 van der Waals Heterostructure: Tunable Electronic Properties with Type-II Band Alignment” has been published in ACS Omega. Congratulations to Mustapha, Amrita, and Sufyan for this nice piece of research!
14.06.2024
Our paper „First-Principle Characterization of Structural, Electronic, and Optical Properties of Tin-Halide Monomers” has been published in ChemPhysChem. Congratulations to Freerk and Ana for this effort!
28.05.2024
Our paper „Thermodynamic stability and vibrational properties of multi-alkali antimonides” has been accepted for publication in J. Phys. Mater. Congratulations to Julia and Holger for this great work!
15.05.2024
Our paper „Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface” has been accepted for publication in Electronic Structure. Congratulations to Matheus for this work and to Mariana and Karen for this fruitful cooperation.
26.04.2024
Matheus Jacobs defended today his doctoral thesis entitled „Ab Initio ultrafast laser-induced charge transfer dynamics in all-organic and hybrid inorganic-organic interfaces”. Congratulations, Dr. Matheus, and good luck with the next steps in your career!
24.04.2024
Timo Reents defended today his Master’s thesis entitled „Electronic structure fingerprints of from high-throughput ab initio calculations”. Congratulations, Timo!
23.04.2024
Our paper „Tuning Structural and Electronic Properties of Metal-Organic Framework 5 by Metal Substitution and Linker Functionalization” has been accepted for publication in The Journal of Chemical Physics. Congratulations to Joshua, Holger, and Julia for this very nice piece of work!
17.03.2024
The EST group participates in the DPG Spring Meeting in Berlin. Follow us!
13.03.2024
Our paper „Electronic properties of MoSe2 nanowrinkles” has been accepted for publication in Nanoscale. Congratulations to Stefan and Jannis for this very nice work!
27.02.2024
The paper entitled „X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory” has been published in Phys. Rev. Materials as part of a cooperation with the group of Claudia Draxl at the Humboldt-Universität zu Berlin.
23.02.2024
Mustapha Driouech defended today his Master’s thesis entitled „The electronic properties of novel 2D materials in van der Waals heterostructures and in contact with air pollutants”. Congratulations, Mustapha!
20.02.2024
Our paper „Automated analysis of surface facets: the example of cesium telluride” has been published in npj Computational Materials. Congratulations to Holger for this incredible work!
03.01.2024
Our paper „Impact of Ligand Substitution and Metal Node Exchange in the Electronic Properties of Scandium Terephthalate Frameworks” has been accepted for publication in Inorganic Chemistry. Congratulations to Holger, Fabiana, and Joshua for their first paper of the year!
21.12.2023
Our paper „Quantum Dots in Transition Metal Dichalcogenides Induced by Atomic-Scale Deformations” has been accepted for publication in ACS Photonics. Congratulations to Jannis and Stefan for this great work!
19.12.2023
Our paper „Composition-dependent absorption of radiation in semiconducting MSi2Z4 Monolayers” has been accepted for publication in Physica Status Solidi B. Congratulations to Sufyan and many thanks to our collaborators Aga and Tomasz!
06.12.2023
The EST group is part of the graduate school „FuturePV” financed by the Ministry of Lower Saxony for Education and Reaserch for the next 4 years. To learn more, see the press release (in German): https://www.mwk.niedersachsen.de/startseite/aktuelles/presseinformationen/22-mio-euro-fur-die-solar-offensive-niedersachsen-227768.html
05.12.2023
Our paper „Two-dimensional electronic spectroscopy from first principles” has been accepted for publication in Appl. Phys. Rev. Congratulations to Jannis, and Michele for this breakthrough and many thanks to Prof. Lineau and Dr. De Sio for this great collaboration!
04.12.2023
Our paper „Magnification of Plasmon Resonances in Monolayer MoS2 via Conjugated Molecular Adsorbates” has been accepted for publication in J. Phys. Chem. C. Congratulations to Juan Pablo and Ana for this great work!
25.09.2023
Our paper „Pulse-Induced Dynamics of a Charge-Transfer Complex from First Principles” has been accepted for publication in J. Phys. Chem. A. Congratulations to Matheus, Jannis, and Ana for all the work put into it!
20.09.2023
Our paper „Core-Level Spectroscopy with Hard and Soft X-rays on Phosphorus-Containing Compounds for Energy Conversion and Storage” has been accepted for publication in J. Phys. Chem. C. Congratulations to Daniel for this nice work and our collaborators at Helmholtz-Zentrum Berlin for involving us in this interesting project!
18.09.2023
Our paper „Strained MoTe2 Monolayer as a Photon Absorber in the Telecom Range” has been accepted for publication in Nanomaterials. Congratulations to Sufyan for this nice piece of work!
12.09.2023
Our paper „Growth of Dichalcogenide Layers on TiO2(110) – MoSe2 or TiSe2” has been accepted for publication in Physica Status Solidi A. Congratulations to Sufyan for this nice piece of work and thanks to Niklas Nilius and Bjoern Ambos for this stimulating cooperation.
28.08.2023
Yichi Zhang defended today his Bachelor’s thesis entitled „Electronic properties of non-fullerene acceptors and their complex with quaterthiophene”. Congratulations, Yichi!
22.08.2023
Our review paper „Excitons in organic materials: revisiting old concepts with new insights” has been accepted for publication in Electronic Structure. Congratulations to Ana for all her work and big thanks to our collaborators in Marburg, Prof. Witte & team, for this nice collaboration.
22.08.2023
Our paper „Vibronic dynamics from real-time time-dependent density-functional theory coupled to the Ehrenfest scheme: The example of p-coumaric acid” has been accepted for publication in Theoretical Chemistry Accounts. Congratulations to Michele and Jannis for this nice piece of work.
19.07.2023
Joshua Edzards defended today his Master’s thesis entitled „First Principles Study on the Relationship
between Structural and Electronic Properties of Functionalized Metal Organic Frameworks Using High-throughput Screening”. Congratulations, Joshua!
03.07.2023
Our paper „Evidence for hybrid inorganic-organic transitions at the WS2/terrylene interface" has been accepted for publication in Physica Status Solidi A as part of the Special Issue „Hybrid Inorganic/Organic Systems for Opto-Electronics”. Congratulations to Jannis and to our colleagues in Berlin for this nice cooperation!
28.06.2023
Vidya Yadav defended today her Bachelor’s thesis entitled „Electronic and optical properties of Helicenes”. Congratulations, Vidya!
24.05.2023
Freerk Schütt defended today his Bachelor’s thesis entitled „First-Principles Investigation of the Electronic and Optical Properties of Tin Halide Molecules which are used as Solution Precursors for the Formation of Lead-Free Perovskite Materials”. Congratulations, Freerk!
03.05.2023
Our paper „Electronic Structure and Optical Properties of Tin Iodide Solution Complexes" has been accepted for publication in The Journal of Physical Chemistry A. Congratulations to Freerk and Ana for this great work!
17.04.2023
Our paper „On the non-bonding valence band and the electronic properties of poly(triazine imide), a graphitic carbon nitride" has been accepted for publication in Chemical Science. Congratulations to Michele for this work and to our collaborators from Berlin!
10.04.2023
Our article „Electronic structure of low-dimensional inorganic/organic interfaces: Hybrid density functional theory, G0W0, and electrostatic models" has been accepted for publication in Physica Status Solidi A as part of the Special Issue „Hybrid Inorganic/Organic Systems for Opto-Electronics”. Congratulations to Jannis for this great work!
01.03.2023
The article „Phonon-driven intra-exciton Rabi oscillations in CsPbBr3 halide perovskites" is published in Nature Communications. Congratulations to Sufyan for his excellent work and thanks to all our collaborators.
17.02.2023
Our article „Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs" has been accepted for publication in Inorganic Chemistry. Congratulations to Fabiana, Daniel, and Holger for this excellent work and thanks to our collaborators at Paul Schirrer Insititute and at the Federal Institute for Materials Research and Testing.
27.01.2023
James Kennington defended today his Bachelor’s thesis on the electronic structure of SnBr2. Congratulations, James!
16.01.2023
Our article „Al coordination and Ga interstitial stability in a β-(Al0.2Ga0.8)2O3 thin film" has been accepted for publication in ACS Applied Materials & Interfaces. Congratulations to Daniel for this excellent work and thanks to our collaborators at Penn State University and Ohio State University.
12.01.2023
Fabiana Machado defended today her Bachelor’s thesis on metal-organic frameworks investigated by means of high-throughput first-principles methods. Congratulations, Fabiana!
15.12.2022
Baljinder Singh defended today his Bachelor’s thesis on donor/acceptor bimolecular complexes. Congratulations, Baljinder!
09.12.2022
Freerk Schütt and Joshua Edzards received the Best Poster Price at the conference „Future WiNS: New Energies for a Sustainable World” sponsodered by Wiley. Congratulations, Freerk and Josh, on your award!
30.11.2022
Our review „Modeling the electronic structure of organic materials: A solid-state physicist's perspective" has been accepted for publication in J. Phys.: Materials as part of the Focus Issue „Advanced Characterization of Organic and Hybrid Materials”. Thanks to Michele, Jannis, Trung, and Ana for their valuable contributions.
30.11.2022
Ariel Cabrera joins our group from the Yachay Tech University, Equador, for his Bachelor’s thesis. Welcome, Ariel!
15.11.2022
Our paper „Stability and electronic properties of CsK2Sb surface facets" has been accepted for publication in Phys. Rev. Materials. Congratulations to Richard and Holger for this great work!
07.11.2022
Mustapha Driouech joins our group from his Master’s thesis. Welcome, Mustapha!
01.11.2022
Dhruti Mavani joins our group as a student assistant. Welcome, Dhruti!
14.10.2022
Cristina Rubio joins our group from the Yachay Tech University, Equador, for her Bachelor’s thesis. Welcome, Cristina!
19.09.2022
Our paper "Ab initio simulation of laser-induced electronic and vibrational coherence" has been accepted for publication in Phys. Rev B. Congratulations, Jannis and Matheus, for this great work!
06.09.2022
Caterina presents an invited talk entitled „Laser-controlled charge transfer in a two-dimensional organic/inorganic interface” at the International Conference of Quantum, Nonlinear and Nanophotonics 2022 taking place in Jena (5.-9.9.2022). Thanks to the organizers for the invitation!
01.09.2022
Julia Santana Andreo joins our group as a pre-doctoral scientist hosted by the SFB 951 in Berlin. Welcome, Julia!
30.08.2022
Caterina presents an invited talk entitled „Ultrafast spectroscopy in hybrid interfaces from first principles” at the DoKDoK Conference 2022 organized by the doctoral students of the Abbe School of Photonics (Jena) in Arnstadt. Thanks to the organizers for the invitation!
16.06.2022
Our paper "Donors, Acceptors, and a Bit of Aromatics: Electronic Interactions of Molecular Adsorbates on hBN and MoS2 Monolayers" has been accepted for publication in PCCP. Congratulations, Juan Pablo, Ana and Jannis, for your great work and special thanks to Giacomo and Marcella from the University of Zurich for this nice collaboration!
15.06.2022
Our paper "First-Principles Core Spectroscopy of LiCoO2 and CoO2" has been accepted for publication in J. Phys. Chem. C. Congratulations, Daniel!
13.06.2022
Caterina and Fabiana participated this weekend in the WiNS School 2022 „Energy for (your) future”, a scientific event for organized by Caterina and two colleagues from the Humboldt-Universität zu Berlin. The school took place in Blossin, Brandenburg, and hosted about 30 female scientists of 14 different nationalities.
07.06.2022
Amrita Mitra from the Indian Institute of Science Education and Research (IISER), Bhopal, India joins our group for a virtual internship. Welcome, Amrita!
03.05.2022
Mael Laupretrer from the University of Lyon joins our group for a summer internship. Welcome, Mael!
25.04.2022
Baljinder Singh joins our group as Bachelor’s student. Welcome, Baljinder!
19.04.2022
James Kennington joins our group as Bachelor’s student. Welcome, James!
04.04.2022
Vidya Yadav joins our group as Bachelor’s student. Welcome, Vidya!
18.03.2022
Dongho Nguimdo joins our group remotely as HPC Europa 3 fellow. Welcome, Dongho!
14.03.2022
Our paper "Interfacial electric fields acting on molecules at solid interfaces" has been accepted for publication in J. Phys. Chem. C. Congratulations, Ana, for this great work and thanks to experimental collaborators at the Humboldt-Universität zu Berlin for this nice cooperation!
08.03.2022
Our paper "Laser-Controlled Charge Transfer in a Two-Dimensional Organic/Inorganic Optical Coherent Nanojunction" has been accepted for publication by ACS Appl. Nano Materials. Congratulations, Matheus and Jannis, for this nice work!
11.02.2022
Our paper "Exploring the Cs-Te phase space via high-throughput density-functional theory calculations beyond the generalized-gradient approximation" has been accepted for publication by J. Chem. Phys. Congratulations, Holger, for this great work!
08.02.2022
Our paper "Molecular Charge Transfer Effects on Perylene Diimide Acceptor and Dinapthothienothiophene Donor Systems" has been accepted for publication by J. Phys. Chem. C. Congratulations, Ana, for this great work and thanks to our experimental collaborators at the University of Tübingen for this interesting project!
07.02.2022
Caterina released an interview to the public Italian TV program "Presadiretta", which was aired on Feb. 7, 2022 and viewed by 1.145.000 spectators, share 4,93%. You can find the video on Youtube: www.youtube.com/watch?v=0h3jyN45Wu4&t=766s
10.01.2022
Our paper "Understanding the evolution of the Raman spectra of molecularly p-doped poly(3-hexylthiophene-2,5-diyl): signatures of polarons and bipolarons" has been accepted for publication by Phys. Chem. Chem. Phys. Congratulations, Ana, for this great work and thanks to our experimental collaborators in this project!
14.12.2021
We are happy to announce that the project "Enabling QUAntum Information by Scalability of Engineered quantum materials (EQUAISE)" has been recommended for funding by the European Union as part of QuantERA - ERA-NET cofund in quantum technologies. We are proud to be part of this project together!
30.11.2021
Our paper "Conditions for electronic hybridization between transition-metal dichalcogenide monolayers and physisorbed carbon-conjugated molecules" has been accepted by Electronic Structure as part of the special issue "Emerging Leaders 2021". Congratulations, Jannis, for your great work!
26.11.2021
Our proposal "Fundamental characterization and photoemission properties of multi-alkali antimonides for ultra-bright electron sources (FunPhotoSource)" has been funded by the German Research Foundation (DFG) for three years. It will boost our research direction on photocathode materials and strengthen our collaboration with Sonal Mistry and team at Helmholtz Zentrum Berlin.
20.10.2021
Our paper "Laser-Induced Electronic and Vibronic Dynamics in the Pyrene Molecule and its Cation" has been accepted on The Journal of Physical Chemistry A. Congratulations, Katherine & Jannis for your great work!
11.10.2021
Our paper "Optimized synthesis of solution-processable crystalline poly(triazine imide) with minimized defects for OLED application" has been accepted on Angewandte Chemie. Congratulations to Michele for your work, and to Prof. M. Bojdys for this nice collaboration!
01.10.2021
Our paper "Polarization Resolved Optical Excitation of Charge-Transfer Excitons in PEN:PFP Co-Crystalline Films: Limits of Non-Periodic Modelling" has been accepted on The Journal of Physical Chemistry Letters. Congratulations, Ana & Michele for your efforts, and Prof. G. Witte at the University of Marburg for this nice collaboration!
10.09.2021
Our paper "First-principles analysis of the optical properties of lead halide perovskite solution precursors" has been accepted on PCCP. Congratulations, Gianni, Richard, and Ana for the great work!
01.09.2021
Our paper "Long-Range Order Promotes Charge-Transfer Excitations in Donor/Acceptor Co-Crystals" has been accepted on The Journal of Physical Chemistry C. Congratulations, Michele & Ana, for this beautiful piece of work!
24.08.2021
Our paper "Formation of Near-IR Excitons in Low Dimensional CuSbS2" has been accepted on The Journal of Physical Chemistry C.
20.08.2021
Our review paper "Ab initio quantum-mechanical predictions of semiconducting photocathode materials" has been accepted on Micromachines. Thanks to Holger for contributing to it!
16.08.2021
Freerk Schütt joins our group as student assistant. Welcome, Freerk!
03.08.2021
Our paper "Formation of lead halide perovskite precursors in solution: Insight from electronic-structure theory" has been accepted on Physica Status Solidi B. Congratulations to Richard, Alejandro, and Ana for this nice piece of work!
01.08.2021
Joshua Edzards joins our group as student assistant. Welcome, Josh!
27.07.2021
Our paper "Permanent Dipole Moments Enhance Electronic Coupling and Singlet Fission in Pentacene" has been accepted on The Journal of Physical Chemistry Letter. Congratulations to Ana and thanks to Katharina Broch @ Uni Tuebingen and Giulio Cerullo @ PoliMI for this nice collaboration!
13.07.2021
Yichi Zhang joins our group as bachelor student. Welcome, Yichi!
01.07.2021
M. Sufyan Razman joins our group as post-doctoral scientist. Welcome, Sufyan!
01.07.2021
Fabiana Machado joins our group as Bachelor's student and student assistant. Welcome, Fabiana!
25.06.2021
Our paper "Electronic structure and optical properties of Na2KSb and NaK2Sb from first-principles many-body theory" has been accepted on the Journal of Physics: Condensed Matter. Congratulations Ray and Holger!
14.06.2021
Maleik Ross joins our group as Bachelor's student. Welcome, Maleik!
07.06.2021
Mayhar Najimi our group as Bachelor's student. Welcome, Mayhar!
25.05.2021
Khaled Mohamed joins our group as Bachelor's student. Welcome, Khaled!
24.05.2021
Our paper "LayerPCM: An implicit scheme for dielectric screening from layered substrates" has been accepted on the Journal of Chemical Physics. Congratulations Jannis!
17.05.2021
Ngoc Trung Nguyen joins our group as Bachelor's student and student assistant. Welcome, Trung!
19.04.2021
Our paper "Nonlinear light absorption in many-electron systems excited by an instantaneous electric field: a non-perturbative approach" has been published on PCCP. Another nice work sponsored, among others, by HPC Europa 3.
12.04.2021
Our paper "Electronic Structure of Cesium-based Photocathode Materials from Density Functional Theory: Performance of PBE, SCAN, and HSE06 functionals" has been published on Electronic structure. Congratulations, Holger!
01.03.2021
Dr. Hanen Hamdi joins our group as visiting post-doc. Welcome, Hanen!
25.02.2021
Our paper "Photophysics of charge transfer complexes formed by tetracene and strong acceptors" has been accepted for publication in The Journal of Physical Chemistry C! Congratulations, Ana!
24.02.2021
Our paper "Optical fingerprints of Polynuclear Complexes in Lead-Halide Perovskite Precursor Solutions" has been accepted for publication in The Journal of Physical Chemistry Letters! Congratulations, Ana and Richard!
15.02.2021
Our paper "Exploring organic semiconductors in solution: The effects of solvation, alkylization, and doping" has been accepted for publication in PCCP. Congratulations, Jannis and Ana!
01.02.2021
Our project "Simulations meet experiments on the nanoscale: Opening up the quantum world to artificial intelligence (SMART)" starts today! Ready, steady, go!
01.02.2021
Daphne joins the EST group today. She will be our new assistant! Welcome, Daphne!
07.01.2021
Katherine joins the EST group today for a 3-month internship. Welcome, Katherine!
16.12.2020
Timo joins the EST group today. Welcome, Timo!
01.12.2020
Daniel joins the EST group today. Welcome, Daniel!
24.11.2020
Our paper "Electronic and Optical Properties of Protonated Triazine Derivatives" has been accepted for publication in The Journal of Physical Chemistry C. Congratulations, Michele!
24.11.2020
Our project "Simulations meet experiments on the nanoscale: Opening up the quantum world to artificial intelligence (SMART)" is on the press!
20.11.2020
Ray defended his Master's thesis today! Congratulations, Ray!
03.11.2020
Our project "Simulations meet experiments on the nanoscale: Opening up the quantum world to artificial intelligence (SMART)" has been approved for funding by the Volkswagen Stiftung and by the Niedersächsische Ministerium für Wissenschaft und Kultur within the program "Digitalisierung in den Naturwissenschaften". Our consortium includes Antonietta De Sio, Christoph Lienau, and Ilia Solov'yov from the University of Oldenburg, as well as Frank Jahnke from the University of Bremen. We are looking forward to starting this exciting project!
01.11.2020
Our project "Elucidation of the aging mechanisms of new types cathode active materials via operando XAS / XES (operaXX)" starts today! Ready, steady, go!
23.10.2020
Our paper “In-situ functionalization of graphene” was accepted for publication on 2D Materials. Congratulations to Ana for this nice work and to Kirill & Kirill for this nice HIOS collaboration!
25.09.2020
Our project "Elucidation of the aging mechanisms of new types cathode active materials via operando XAS / XES (operaXX)" has been approved for funding by the Federal Ministry of Education and Research (BMBF) within the Competence Cluster for Battery Research "AQua" for three years! We are very much looking forward to starting this new adventure with our cooperation partners Prof. Dr. Marcus Bär (HZB) and Prof. Dr. Hubert Gasteiger (TUM).
01.08.2020
The EST group is growing! Welcome to our new group members Holger and Giovanni!
10.07.2020
Our paper “Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules” was accepted for publication on The Journal of Chemical Physics. Congratulations to Jannis and Ana for this nice work and special thanks to Stefano and Carlo Andrea for this nice collaboration!
23.06.2020
Our paper “Quantitative Analysis of Doping-Induced Polarons and Charge-Transfer Complexes of Poly(3-hexylthiophene) in Solution” was accepted for publication on The Journal of Physical Chemistry B. Congratulations to Jannis, Michele, and Ana for this nice work, and to all the other coauthors for this nice collaboration!
15.06.2020
Advance Science News publishes Caterina’s contribution “X-ray fingerprints of novel photocathode materials: A new route for theory and experiments to join hands”, featuring her recently published article on Physica Status Solidi – Rapid Research Letters.
05.06.2020
Our paper “Microscopic Insight into the Electronic Structure of BCF-Doped Oligothiophenes from Ab initio Many-Body Theory” was accepted for publication on The Journal of Physical Chemistry C. Congratulations to Richard and Ana for this nice work!
11.05.2020
Our paper “X‐Ray Absorption Fingerprints from Cs Atoms in Cs3Sb” has been accepted for publication on Physica Status Solidi – Rapid Research Letters. It's open access! Check it out!!
01.04.2020
Here we are! The EST Group has landed in Oldenburg! Caterina, Michele, and Ana are already here! I can’t wait to do great science in this beautiful town and in this pleasant scientific environment!