Results 161 to 170 of about 878,894 (294)

Band Alignment in In‐Oxo Metal Porphyrin SURMOF Heterojunctions

Advanced Functional Materials, EarlyView.
Porphyrin core metalation in indium‑oxo SURMOFs enables systematic tuning of band edge positions without altering the crystal structure. First‑principles calculations reveal type‑I and type‑II heterostructures as well as multi‑junction energy cascades, establishing a modular strategy for exciton funneling and charge separation in optoelectronic ...
Puja Singhvi, Nina Vankova, Thomas Heine
wiley   +1 more source

Electronic structure manipulation in electrocatalysis: mechanisms and design principles. [PDF]

Chem Sci
Shi H, Li Y, Pang S, Ma A, Lai J, Wang L.   +5 more
europepmc   +1 more source

On‐Surface Indigo‐Based Bimolecular Coordination Networks with Programmable Regular or Vitreous Structure

Advanced Functional Materials, EarlyView.
A previously unreported coordination motif stabilising single Fe atoms by indigo chelation and pyridyl coordination on Au(111) has been revealed. By using planar tritopic pyridyl linkers (TPyB), extended 2D porous networks of indigo3(TPyB)2Fe6 form. These networks can be crystalline or vitreous and offer an environment where individual coordination ...
Hongxiang Xu, Ritam Chakraborty, Biao Yang, Dennis Meier, Joachim Reichert, Svetlana Klyatskaya, Mario Ruben, Shobhana Narasimhan, Johannes V. Barth, Anthoula C. Papageorgiou   +9 more
wiley   +1 more source

LibppRPA: An open-source library for particle-particle random phase approximation. [PDF]

J Chem Phys
Yu J, Li J, Zhang C, Zhu T, Yang W.
europepmc   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

Effect of π-spacer moieties coupled to a porphyrin/PC70BM donor-acceptor for promising organic photovoltaic properties: a DFT study. [PDF]

RSC Adv
Iqbal MMA, Hussain F, Javeed H, Hassan T, Hussain R.   +4 more
europepmc   +1 more source

3D‐Printed Sulfur‐Derived Polymers With Controlled Architectures for Lithium‐Sulfur Batteries

Advanced Functional Materials, EarlyView.
Rheology‐guided formulation design for direct ink writing enables the fabrication of 3D sulfur copolymer cathodes with controlled architectures for lithium‐sulfur batteries. The printed electrodes exhibit multiscale porosity and high sulfur utilization, delivering enhanced electrochemical performance compared to conventional cast electrodes.
Bin Ling, Haoran Wang, Pan Yang, Rishav Agrawal, Alex R. Neale, Laurence J. Hardwick, Tom Hasell, Esther García‐Tuñón   +7 more
wiley   +1 more source

Phosphorylation-Dependent Charge Transport in Biomolecular Junctions of Major Histocompatibility Complex Phosphopeptides. [PDF]

J Phys Chem B
Thompson W, Burrows J, Safavi-Sohi R, Rostami Osanloo M, Sadeghi H, Morgenstern A, Ashkarran AA.   +6 more
europepmc   +1 more source

Smart, Bio‐Inspired Polymers and Bio‐Based Molecules Modified by Zwitterionic Motifs to Design Next‐Generation Materials for Medical Applications

Advanced Functional Materials, EarlyView.
Bio‐based and (semi‐)synthetic zwitterion‐modified novel materials and fully synthetic next‐generation alternatives show the importance of material design for different biomedical applications. The zwitterionic character affects the physiochemical behavior of the material and deepens the understanding of chemical interaction mechanisms within the ...
Theresa M. Lutz, Jonas De Breuck, Sahar Salehi, Meike N. Leiske   +3 more
wiley   +1 more source

Charge Shift in Calcite before High-Pressure Phase Transition. [PDF]

J Am Chem Soc
Stachowicz M, Huć AA, Poręba T, Mezouar M, Dera P, Woźniak K.   +5 more
europepmc   +1 more source