Výsledky vyhľadávania - "Chemphyschem"

The Bouguer‐Beer‐Lambert Law: Shining Light on the Obscure Autor Mayerhöfer, Thomas G., Pahlow, Susanne, Popp, Jürgen

“…The Beer‐Lambert law is unquestionably the most important law in optical spectroscopy and indispensable for the qualitative and quantitative interpretation of…”
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Electrochemical CO2 Reduction: A Classification Problem Autor Bagger, Alexander, Ju, Wen, Varela, Ana Sofia, Strasser, Peter, Rossmeisl, Jan

“…In this work, we propose four non‐coupled binding energies of intermediates as descriptors, or “genes”, for predicting the product distribution in CO2…”
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C 1s Peak of Adventitious Carbon Aligns to the Vacuum Level: Dire Consequences for Material's Bonding Assignment by Photoelectron Spectroscopy Autor Greczynski, Grzegorz, Hultman, Lars

“…The C 1s signal from ubiquitous carbon contamination on samples forming during air exposure, so called adventitious carbon (AdC) layers, is the most common…”
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C1s Peak of Adventitious Carbon Aligns to the Vacuum Level: Dire Consequences for Material's Bonding Assignment by Photoelectron Spectroscopy Autor Greczynski, Grzegorz, Hultman, Lars

“…The C1s signal from ubiquitous carbon contamination on samples forming during air exposure, so called adventitious carbon (AdC) layers, is the most common…”
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A Review on Bimetallic Nickel‐Based Catalysts for CO2 Reforming of Methane Autor Bian, Zhoufeng, Das, Sonali, Wai, Ming Hui, Hongmanorom, Plaifa, Kawi, Sibudjing

“…In recent years, CO2 reforming of methane (dry reforming of methane, DRM) has become an attractive research area because it converts two major greenhouse…”
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The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations Autor Lefebvre, Corentin, Khartabil, Hassan, Boisson, Jean‐Charles, Contreras‐García, Julia, Piquemal, Jean‐Philip, Hénon, Eric

“…Extraction of the chemical interaction signature from local descriptors based on electron density (ED) is still a fruitful field of development in chemical…”
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High‐Quality Cs2AgBiBr6 Double Perovskite Film for Lead‐Free Inverted Planar Heterojunction Solar Cells with 2.2 % Efficiency Autor Gao, Weiyin, Ran, Chenxin, Xi, Jun, Jiao, Bo, Zhang, Wenwen, Wu, Mincai, Hou, Xun, Wu, Zhaoxin

“…All‐inorganic double‐metal perovskite materials have recently gained much attention due to their three dimensionality (3D) and non‐toxic nature to replace…”
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The Importance of Vibronic Coupling for Efficient Reverse Intersystem Crossing in Thermally Activated Delayed Fluorescence Molecules Autor Gibson, Jamie, Monkman, Andrew P., Penfold, Thomas J.

“…Factors influencing the rate of reverse intersystem crossing (krISC) in thermally activated delayed fluorescence (TADF) emitters are critical for improving the…”
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Electrolyte Effects on the Electrochemical Reduction of CO2 Autor Moura de Salles Pupo, Marilia, Kortlever, Ruud

“…The electrochemical reduction of CO2 to fuels or commodity chemicals is a reaction of high interest for closing the anthropogenic carbon cycle. The role of the…”
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An Extensive Set of Accurate Fluoride Ion Affinities for p‐Block Element Lewis Acids and Basic Design Principles for Strong Fluoride Ion Acceptors Autor Erdmann, Philipp, Leitner, Jonas, Schwarz, Julia, Greb, Lutz

“…The computed fluoride ion affinity (FIA) is a valuable descriptor to assess the Lewis acidity of a compound. Despite its widespread use, the varying accuracy…”
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CO2 Activation over Catalytic Surfaces Autor Álvarez, Andrea, Borges, Marta, Corral‐Pérez, Juan José, Olcina, Joan Giner, Hu, Lingjun, Cornu, Damien, Huang, Rui, Stoian, Dragos, Urakawa, Atsushi

“…This article describes the main strategies to activate and convert carbon dioxide (CO2) into valuable chemicals over catalytic surfaces. Coherent elements such…”
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Multiple Polar and Non‐polar Nematic Phases Autor Brown, Stevie, Cruickshank, Ewan, Storey, John M. D., Imrie, Corrie T., Pociecha, Damian, Majewska, Magdalena, Makal, Anna, Gorecka, Ewa

“…Liquid‐crystal materials exhibiting up to three nematic phases are reported. Dielectric response measurements show that while the lower temperature nematic…”
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The Bright Future of Unconventional σ/π-Hole Interactions Autor Bauzá, Antonio, Mooibroek, Tiddo J., Frontera, Antonio

“…Non‐covalent interactions play a crucial role in (supramolecular) chemistry and much of biology. Supramolecular forces can indeed determine the structure and…”
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Recent Developments in Plasmonic Alloy Nanoparticles: Synthesis, Modelling, Properties and Applications Autor Coviello, Vito, Forrer, Daniel, Amendola, Vincenzo

“…Despite the traditional plasmonic materials are counted on one hand, there are a lot of possible combinations leading to alloys with other elements of the…”
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TADF Material Design: Photophysical Background and Case Studies Focusing on CuI and AgI Complexes Autor Yersin, Hartmut, Czerwieniec, Rafal, Shafikov, Marsel Z., Suleymanova, Alfiya F.

“…The development of organic light emitting diodes (OLEDs) and the use of emitting molecules have strongly stimulated scientific research of emitting compounds…”
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Nucleophilic Substitution (SN2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent Autor Hamlin, Trevor A., Swart, Marcel, Bickelhaupt, F. Matthias

“…The reaction potential energy surface (PES), and thus the mechanism of bimolecular nucleophilic substitution (SN2), depends profoundly on the nature of the…”
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Non‐Fluorinated Polymer Composite Proton Exchange Membranes for Fuel Cell Applications – A Review Autor Esmaeili, Nazila, Gray, Evan MacA, Webb, Colin J.

“…The critical component of a proton exchange membrane fuel cell (PEMFC) system is the proton exchange membrane (PEM). Perfluorosulfonic acid membranes such as…”
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Anion⋅⋅⋅Anion Interactions Involving σ‐Holes of Perrhenate, Pertechnetate and Permanganate Anions Autor Daolio, Andrea, Pizzi, Andrea, Terraneo, Giancarlo, Frontera, Antonio, Resnati, Giuseppe

“…In this communication experimental and theoretical results are reported affording strong evidence that interactions between electron rich atoms and the metal…”
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Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods Autor Ricci, G., San‐Fabián, E., Olivier, Y., Sancho‐García, J. C.

“…We have investigated the origin of the S1‐T1 energy levels inversion for heptazine, and other N‐doped π‐conjugated hydrocarbons, leading thus to an unusually…”
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Synthetic Biology Enables Programmable Cell‐Based Biosensors Autor Hicks, Maggie, Bachmann, Till T., Wang, Baojun

“…Cell‐based biosensors offer cheap, portable and simple methods of detecting molecules of interest but have yet to be truly adopted commercially. Issues with…”
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