Jie Cao, Shuxia Tao, Peter A. Bobbert, Ching-Ping Wong, Ni Zhao, Interstitial Occupancy by Extrinsic Alkali Cations in Perovskites and Its Impact on Ion Migration Adv. Mater. 2018, 30, 1707350. [link]

Hong‐Hua Fang, Jie Yang, Shuxia Tao, Sampson Adjokatse, Machteld E. Kamminga, Jianting Ye, Graeme R. Blake, Jacky Even, Maria Antonietta Loi, Unravelling Light‐Induced Degradation of Layered Perovskite Crystals and Design of Efficient Encapsulation for Improved Photostability. Advanced Functional Materials, 2018, april 14 [link]

Vikas Negi, Olga Wodo, Jacobus J. van Franeker, René A. J. Janssen, Peter A. Bobbert, Simulating Phase Separation during Spin Coating of a Polymer-Fullerene Blend: A Joint Computational and Experimental Investigation. ACS Appl. Energy Mater., 2018, Feb. 2. [link]

Gernot Füchsel, Kun Cao, Süleyman Er, Egidius W. F. Smeets, Aart W. Kleyn, Ludo B. F. Juurlink and Geert-Jan Kroes, Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D2 on Cu(211). J. Phys. Chem. Lett., 2018, 9 (1), pp 170–175. [link]

Yibin Bu, Süleyman Er, Hans Niemantsverdriet, Hans Fredriksson, Preferential oxidation of CO in H2 on Cu and Cu/CeOx catalysts studied by in situ UV–Vis and mass spectrometry and DFT. J. Phys. Chem. Lett., 2018, 9 (1), pp 170–175. [link]

About CCER

The Center for Computational Energy Research  aims to explore pathways to future energy systems. This is done via computational simulations that complement experimental energy research. The center was founded in 2017 as the result of a joint initiative between the Department of Applied Physics of the Eindhoven University of Technology and NWO Institute DIFFER.

Center for Computational Energy Research
TU/e Science Park
De Zaale 20
5612 AJ Eindhoven
The Netherlands

P.O. Box 6336
5600 HH Eindhoven
The Netherlands

+31 40 3334 999