呂德老師

瀏覽數:

呂德 (Johann Lüder) 助理教授

Johann.Lueder@gmail.com
07-5252-000 ext:4094
學歷：Ph.D., Physics and Astronomy, Uppsala University
辦公室：材料大樓 MS4005
授課領域：材料物理性質、科學模擬計算導論、X光與電子能譜學、進階材料模擬設計

研究領域

功能性金屬-有機材料性質計算、以計算材料科學為例—機器學習應用於理論光譜的方法與開發

Computation of properties of functional (metal-) organic materials, Machine Learning for Theoretical Spectroscopy and Computational Materials Science Method Development

2011/10

Ph.D., Physics and Astronomy
Uppsala University, Sweden

2010/08

M.S., Physics and Astronomy
Uppsala University, Sweden

2007/08

B.S., Physics
Free University of Berlin, Germany

2016/07

Research Fellow
Department of Mechanical Engineering, National University of Singapore

年度	計畫名稱	擔任工作	機構	補助類別
109	利用AI研究 2p X-光吸收光譜	計畫主持人	科技部	一般研究計畫
108	以ab-initio原子模擬闡發多價鎂離子電池有機電極材料之設計	計畫主持人	科技部	新進人員研究計畫

Lüder, J*. Determining Electronic Properties from L-Edge X-Ray Absorption Spectra of Transition Metal Compounds with Artificial Neural Networks. Phys. Rev. B. (accepted) 2020.
Lüder, J*.; Manzhos, S. Non-Parametric Local Pseudopotentials with Machine Learning: A Tin Pseudopotential Built Using Gaussian Process Regression. J. Phys. Chem. A (accepted) 2020
Mohamed, M. G.; Lee, C.; EL-Mahdy, A. F. M.; Lüder, J.; Yu, M.-H.; Li, Z.; Zhu, Z.; Chueh, C.-C.; Kuo, S.-W.; Online, V. A.; Mohamed, M. G.; Lee, C.; Yu, M.-H.; Li, Z.; Zhu, Z.; Chueh, C.-C.; Kuo, S.-W. Exploitation of Two-Dimensional Conjugated Covalent Organic Frameworks Based on Tetraphenylethylene with Bicarbazole and Pyrene Units and Applications in Perovskite Solar Cells. J. Mater. Chem. A 2020. https://doi.org/10.1039/D0TA02956D.
Lüder, J.*; Manzhos, S. First-Principle Insights Into Molecular Design for High-Voltage Organic Electrode Materials for Mg Based Batteries. Front. Chem. 2020, 8 (February), 83. https://doi.org/10.3389/fchem.2020.00083.
Witkowski, N.; Lüder, J.; Bidermane, I.; Farronato, M.; Prévot, G.; Bouvet, M.; Puglia, C.; Brena, B. Grafting, Self-Organization and Reactivity of Double-Decker Rare-Earth Phthalocyanine. J. Porphyr. Phthalocyanines 2019, 23 (11n12), 1523–1534. https://doi.org/10.1142/S1088424619501736.
Brumboiu, I. E.; Haldar, S.; Lüder, J.; Eriksson, O.; Herper, H. C.; Brena, B.; Sanyal, B. Ligand Effects on the Linear Response Hubbard U : The Case of Transition Metal Phthalocyanines. J. Phys. Chem. A 2019, 123 (14), 3214–3222. https://doi.org/10.1021/acs.jpca.8b11940.
Lee, Y. J.; Hao, L.; Lüder, J.; Chaudhari, A.; Wang, S.; Manzhos, S.; Wang, H. Micromachining of Ferrous Metal with an Ion Implanted Diamond Cutting Tool. Carbon 2019, 152, 598–608. https://doi.org/10.1016/j.carbon.2019.06.043.
Farronato, M.; Bidermane, I.; Lüder, J.; Bouvet, M.; Vlad, A.; Jones, A.; Simbrunner, J.; Resel, R.; Brena, B.; Prévot, G.; Witkowski, N. New Quadratic Self-Assembly of Double-Decker Phthalocyanine on Gold(111) Surface: From Macroscopic to Microscopic Scale. J. Phys. Chem. C 2018, 122 (46), 26480–26488. https://doi.org/10.1021/acs.jpcc.8b08462.
Farronato, M.; Lüder, J.; Longo, D.; Cruguel, H.; Bouvet, M.; Brena, B.; Witkowski, N. High Tolerance of Double-Decker Phthalocyanine toward Molecular Oxygen. J. Phys. Chem. C 2018, 122 (35), 20244–20251. https://doi.org/10.1021/acs.jpcc.8b04084.
Padhy, H.; Chen, Y.; Lüder, J.; Gajella, S. R.; Manzhos, S.; Balaya, P. Charge and Discharge Processes and Sodium Storage in Disodium Pyridine-2,5-Dicarboxylate Anode-Insights from Experiments and Theory. Adv. Energy Mater. 2018, 8 (7), 1701572. https://doi.org/10.1002/aenm.201701572.
Chen, Y.; Lüder, J.; Ng, M.-F.; Sullivan, M.; Manzhos, S. Polyaniline and CN-Functionalized Polyaniline as Organic Cathodes for Lithium and Sodium Ion Batteries: A Combined Molecular Dynamics and Density Functional Tight Binding Study in Solid State. Phys. Chem. Chem. Phys. 2018, 20 (1), 232–237. https://doi.org/10.1039/C7CP06279F.
Lüder, J.; Cheow, M. H.; Manzhos, S. Understanding Doping Strategies in the Design of Organic Electrode Materials for Li and Na Ion Batteries: An Electronic Structure Perspective. Phys. Chem. Chem. Phys. 2017, 19 (20), 13195–13209. https://doi.org/10.1039/C7CP01554B.
Chen, Y.; Lüder, J.; Manzhos, S. Disodium Pyridine Dicarboxylate vs Disodium Terephthalate as Anode Materials for Organic Na Ion Batteries: Effect of Molecular Structure on Voltage from the Molecular Modeling Perspective. MRS Advances; 2017; Vol. 2. https://doi.org/10.1557/adv.2017.323.
Totani, R.; Grazioli, C.; Zhang, T.; Bidermane, I.; Lüder, J.; de Simone, M.; Coreno, M.; Brena, B.; Lozzi, L.; Puglia, C. Electronic Structure Investigation of Biphenylene Films. J. Chem. Phys. 2017, 146 (5), 054705. https://doi.org/10.1063/1.4975104.
Lüder, J.; Schött, J.; Brena, B.; Haverkort, M. W.; Thunström, P.; Eriksson, O.; Sanyal, B.; Di Marco, I.; Kvashnin, Y. O. Theory of L -Edge Spectroscopy of Strongly Correlated Systems. Phys. Rev. B 2017, 96 (24), 245131. https://doi.org/10.1103/PhysRevB.96.245131.
Lüder, J.; Legrain, F.; Chen, Y.; Manzhos, S. Doping of Active Electrode Materials for Electrochemical Batteries: An Electronic Structure Perspective. MRS Commun. 2017, 7 (3), 523–540. https://doi.org/10.1557/mrc.2017.69.
Zhang, T.; Brumboiu, I. E.; Lanzilotto, V.; Lüder, J.; Grazioli, C.; Giangrisostomi, E.; Ovsyannikov, R.; Sassa, Y.; Bidermane, I.; Stupar, M.; de Simone, M.; Coreno, M.; Ressel, B.; Pedio, M.; Rudolf, P.; Brena, B.; Puglia, C. Conclusively Addressing the CoPc Electronic Structure: A Joint Gas-Phase and Solid-State Photoemission and Absorption Spectroscopy Study. J. Phys. Chem. C 2017, 121 (47), 26372–26378. https://doi.org/10.1021/acs.jpcc.7b08524.
Lüder, J.*; Puglia, C.; Ottosson, H.; Eriksson, O.; Sanyal, B.; Brena, B. Many-Body Effects and Excitonic Features in 2D Biphenylene Carbon. J. Chem. Phys. 2016, 144 (2), 024702. https://doi.org/10.1063/1.4939273.
Brumboiu, I. E.; Haldar, S.; Lüder, J.; Eriksson, O.; Herper, H. C.; Brena, B.; Sanyal, B. Influence of Electron Correlation on the Electronic Structure and Magnetism of Transition-Metal Phthalocyanines. J. Chem. Theory Comput. 2016, 12 (4), 1772–1785. https://doi.org/10.1021/acs.jctc.6b00091.
Bidermane, I.; Lüder, J.; Ahmadi, S.; Grazioli, C.; Bouvet, M.; Brena, B.; Mårtensson, N.; Puglia, C.; Witkowski, N. When the Grafting of Double Decker Phthalocyanines on Si(100)-2 × 1 Partly Affects the Molecular Electronic Structure. J. Phys. Chem. C 2016, 120 (26). https://doi.org/10.1021/acs.jpcc.6b05552.
Bidermane, I.; Lüder, J.; Totani, R.; Grazioli, C.; de Simone, M.; Coreno, M.; Kivimäki, A.; Åhlund, J.; Lozzi, L.; Brena, B.; Puglia, C. Characterization of Gas Phase Iron Phthalocyanine with X-Ray Photoelectron and Absorption Spectroscopies. Phys. status solidi 2015, 252 (6), 1259–1265. https://doi.org/10.1002/pssb.201451147.
Lüder, J.; De Simone, M.; Totani, R.; Coreno, M.; Grazioli, C.; Sanyal, B.; Eriksson, O.; Brena, B.; Puglia, C. The Electronic Characterization of Biphenylene—Experimental and Theoretical Insights from Core and Valence Level Spectroscopy. J. Chem. Phys. 2015, 142 (7), 074305. https://doi.org/10.1063/1.4907723.
Snezhkova, O.; Lüder, J.; Wiengarten, A.; Burema, S. R.; Bischoff, F.; He, Y.; Rusz, J.; Knudsen, J.; Bocquet, M.-L.; Seufert, K.; Barth, J. V; Auwärter, W.; Brena, B.; Schnadt, J. Nature of the Bias-Dependent Symmetry Reduction of Iron Phthalocyanine on Cu(111). Phys. Rev. B 2015, 92 (7). https://doi.org/10.1103/PhysRevB.92.075428.
Lüder, J.*; Sanyal, B.; Eriksson, O.; Puglia, C.; Brena, B. Comparison of van Der Waals Corrected and Sparse-Matter Density Functionals for the Metal-Free Phthalocyanine/Gold Interface. Phys. Rev. B 2014, 89 (4), 045416. https://doi.org/10.1103/PhysRevB.89.045416.
Lüder, J.*; Eriksson, O.; Sanyal, B.; Brena, B. Revisiting the Adsorption of Copper-Phthalocyanine on Au(111) Including van Der Waals Corrections. J. Chem. Phys. 2014, 140 (12), 124711. https://doi.org/10.1063/1.4868139.
Shariati, M.-N.; Lüder, J.; Bidermane, I.; Ahmadi, S.; Göthelid, E.; Palmgren, P.; Sanyal, B.; Eriksson, O.; Piancastelli, M. N.; Brena, B.; Puglia, C. Photoelectron and Absorption Spectroscopy Studies of Metal-Free Phthalocyanine on Au(111): Experiment and Theory. J. Phys. Chem. C 2013, 117 (14). https://doi.org/10.1021/jp307626n.
Bidermane, I.; Lüder, J.; Boudet, S.; Zhang, T.; Ahmadi, S.; Grazioli, C.; Bouvet, M.; Rusz, J.; Sanyal, B.; Eriksson, O.; Brena, B.; Puglia, C.; Witkowski, N. Experimental and Theoretical Study of Electronic Structure of Lutetium Bi-Phthalocyanine. J. Chem. Phys. 2013, 138 (23), 234701. https://doi.org/10.1063/1.4809725.

校內榮譽

年度	獎項名稱	頒獎單位
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