Results 131 to 140 of about 966,659 (353)

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source

Application of Variational Quantum Eigensolver for Ground State Energies Calculation in Hydrogen and Helium Atomic Sequences

Spektra: Jurnal Fisika dan Aplikasinya
Exponential scaling presents a significant challenge in electronic structure calculations performed on classical computers. This paper explores how quantum computer algorithms can accurately represent quantum systems. Variational Quantum Eigensolver (VQE)
Difa Farhani Hakim, Teguh Budi Prayitno, Yanoar Pribadi Sarwono   +2 more
doaj   +1 more source

Ground-State Redox Potentials Calculations of D-π-A and D-A-π-A Organic Dyes for DSSC and Visible-Light-Driven Hydrogen Production [PDF]

, 2020
Sanaz Mohammadpourasl, F.F. De Biani, Carmen Coppola, Maria Laura Parisi, Lorenzo Zani, Alessio Dessì, Massimo Calamante, Gianna Reginato, Riccardo Basosi, Adalgisa Sinicropi   +9 more
openalex   +1 more source

MnI‐Functionalized Covalent Organic Framework as Efficient Electrocatalyst for CO2 Reduction in a Catholyte‐Free Zero‐Gap Electrolyzer

Advanced Functional Materials, EarlyView.
This work demonstrates the successful integration of a phenanthroline‐based 2D COF with MnI catalytic sites into a catholyte‐free membrane‐electrode‐assembly cell for CO2 electroreduction. The crystalline COF actively suppresses Mn⁰–Mn⁰ dimerization, achieving a turnover frequency of 617 h⁻¹ at 2.8 V (full‐cell potential), and enabling stable operation.
Laura Spies, Marcos Eduardo G. Carmo, Gonçalves J. Marrenjo, Stephan Reuther, Patrick Ganswindt, Antonio Otavio T. Patrocinio, Thomas Bein, Osmando F. Lopes, Jenny Schneider   +8 more
wiley   +1 more source

Biodegradable and Recyclable Luminescent Mixed‐Matrix‐Membranes, Hydrogels, and Cryogels based on Nanoscale Metal‐Organic Frameworks and Biopolymers

Advanced Functional Materials, EarlyView.
The study presents biodegradable and recyclable mixed‐matrix membranes (MMMs), hydrogels, and cryogels using luminescent nanoscale metal‐organic frameworks (nMOFs) and biopolymers. These bio‐nMOF‐MMMs combine europium‐based nMOFs as probes for the status of the materials with the biopolymers agar and gelatine and present alternatives to conventional ...
Moritz Maxeiner, Julian Burkhart, Kateryna Borysova, Chiara Mazzariol, Klaus Müller‐Buschbaum   +4 more
wiley   +1 more source

Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water

Nature Communications
The photochemistry of UV-irradiated liquid water underlies many physical, chemical, and biological processes, with the formation of the hydrated electron as a central event.
Gonzalo Díaz Mirón, Cesare Malosso, Solana Di Pino, Colin K. Egan, Diganta Dasgupta, Christopher J. Mundy, Ali Hassanali   +6 more
doaj   +1 more source

Active and silent chromophore isoforms for phytochrome Pr photoisomerization: An alternative evolutionary strategy to optimize photoreaction quantum yields

Structural Dynamics, 2014
Photoisomerization of a protein bound chromophore is the basis of light sensing of many photoreceptors. We tracked Z-to-E photoisomerization of Cph1 phytochrome chromophore PCB in the Pr form in real-time.
Yang Yang, Martin Linke, Theodore von Haimberger, Ricardo Matute, Leticia González, Peter Schmieder, Karsten Heyne   +6 more
doaj   +1 more source

Simple models for the quick estimation of ground state hydrogen tunneling splittings in alcohols and other compounds

, 2021
Robert Medel
openalex   +2 more sources

Modulating Two‐Photon Absorption in a Pyrene‐Based MOF Series: An In‐Depth Investigation of Structure–Property Relationships

Advanced Functional Materials, EarlyView.
This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger, Helmy Pacheco Hernandez, Yang Cui, Hongxing Hao, Vanessa Ramm, David C. Mayer, Khai‐Nghi Truong, Roland A. Fischer, Jürgen Hauer, Mariana Kozlowska, Alexander Pöthig   +10 more
wiley   +1 more source

State-selective electron capture cross sections in collision between fully striped ions and ground state hydrogen atom—Classical treatment of the collision

, 2022
Iman Ziaeian, K. Tőkési
openalex   +1 more source