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1,774 Newest Publications in accounts of chemical research

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Probing the Complexities of Structural Changes in Layered Oxide Cathode Materials for Li-Ion Batteries during Fast Charge–Discharge Cycling and Heating

19-Jan-2018 | Enyuan Hu; Xuelong Wang; Xiqian Yu; Xiao-Qing Yang, Accounts of Chemical Research, 2018

ConspectusThe rechargeable lithium-ion battery (LIB) is the most promising energy storage system to power electric vehicles with high energy density and long cycling life. However, in order to meet customers’ demands for fast charging, the power performances of current LIBs need to be improved. ...

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Time-Dependent Density Functional Theory for Open Systems and Its Applications

19-Jan-2018 | Shuguang Chen; YanHo Kwok; GuanHua Chen, Accounts of Chemical Research, 2018

ConspectusPhotovoltaic devices, electrochemical cells, catalysis processes, light emitting diodes, scanning tunneling microscopes, molecular electronics, and related devices have one thing in common: open quantum systems where energy and matter are not conserved. Traditionally quantum chemistry ...

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Judicious Design of Cationic, Cyclometalated Ir(III) Complexes for Photochemical Energy Conversion and Optoelectronics

16-Jan-2018 | Isaac N. Mills; Jonathan A. Porras; Stefan Bernhard, Accounts of Chemical Research, 2018

ConspectusThe exponential growth in published studies on phosphorescent metal complexes has been triggered by their utilization in optoelectronics, solar energy conversion, and biological labeling applications. Very recent breakthroughs in organic photoredox transformations have further increased ...

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The Nature and Reactivity of Ferryl Heme in Compounds I and II

12-Jan-2018 | Peter C. E. Moody; Emma L. Raven, Accounts of Chemical Research, 2018

ConspectusAerobic organisms have evolved to activate oxygen from the atmosphere, which allows them to catalyze the oxidation of different kinds of substrates. This activation of oxygen is achieved by a metal center (usually iron or copper) buried within a metalloprotein. In the case of ...

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Can Multielectron Intercalation Reactions Be the Basis of Next Generation Batteries?

12-Jan-2018 | M. Stanley Whittingham; Carrie Siu; Jia Ding, Accounts of Chemical Research, 2018

ConspectusIntercalation compounds form the basis of essentially all lithium rechargeable batteries. They exhibit a wide range of electronic and crystallographic structures. The former varies from metallic conductors to excellent insulators. The latter often have layer structures or have open ...

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Cluster Formation in the Superconducting Complex Intermetallic Compound Be21Pt5

09-Jan-2018 | Alfred Amon; Alim Ormeci; Matej Bobnar; Lev G. Akselrud; Maxim Avdeev; Roman Gumeniuk; Ulrich Burkhardt; Yurii Prots ..., Accounts of Chemical Research, 2018

ConspectusMaterials with the crystal structure of γ-brass type (Cu5Zn8 type) are typical representatives of intermetallic compounds. From the electronic point of view, they are often interpreted using the valence electron concentration approach of Hume–Rothery, developed previously for transition ...

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High Thermoelectric Performance of In4Se3-Based Materials and the Influencing Factors

09-Jan-2018 | Xin Yin; Jing-Yuan Liu; Ling Chen; Li-Ming Wu, Accounts of Chemical Research, 2018

ConspectusMaterials that can directly convert electricity into heat, i.e., thermoelectric materials, have attracted renewed attention globally for sustainable energy applications. As one of the state-of-the-art thermoelectric materials, In4Se3 features an interesting crystal structure of ...

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Ambiphilic Molecules: From Organometallic Curiosity to Metal-Free Catalysts

08-Jan-2018 | Frédéric-Georges Fontaine; Étienne Rochette, Accounts of Chemical Research, 2018

ConspectusAmbiphilic molecules were first used as functional ligands for transition elements, which could enable intriguing organometallic transformations. In the past decade, these intramolecular Lewis pairs, first considered organometallic curiosities, have become staples in organometallic ...

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Ambiphilic Molecules: From Organometallic Curiosity to Metal-Free Catalysts

08-Jan-2018 | Frédéric-Georges Fontaine; Étienne Rochette, Accounts of Chemical Research, 2018

ConspectusAmbiphilic molecules were first used as functional ligands for transition elements, which could enable intriguing organometallic transformations. In the past decade, these intramolecular Lewis pairs, first considered organometallic curiosities, have become staples in organometallic ...

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Proton-Coupled Electron Transfer in Artificial Photosynthetic Systems

08-Jan-2018 | S. Jimena Mora; Emmanuel Odella; Gary F. Moore; Devens Gust; Thomas A. Moore; Ana L. Moore, Accounts of Chemical Research, 2018

ConspectusArtificial photosynthetic constructs can in principle operate more efficiently than natural photosynthesis because they can be rationally designed to optimize solar energy conversion for meeting human demands rather than the multiple needs of an organism competing for growth and ...

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