Institution
Environmental Molecular Sciences Laboratory
Facility•Richland, Washington, United States•
About: Environmental Molecular Sciences Laboratory is a facility organization based out in Richland, Washington, United States. It is known for research contribution in the topics: Mass spectrometry & X-ray photoelectron spectroscopy. The organization has 1471 authors who have published 3010 publications receiving 169961 citations.
Topics: Mass spectrometry, X-ray photoelectron spectroscopy, Fourier transform ion cyclotron resonance, Ab initio, Proteome
Papers published on a yearly basis
Papers
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TL;DR: In this paper, a concentrated ether electrolyte that enables long-term cycling stability of high-voltage Li metal batteries was developed, which is a promising approach to enable ether-based electrolytes for high voltage Li metal battery applications.
Abstract: The key to enabling long-term cycling stability of high-voltage lithium (Li) metal batteries is the development of functional electrolytes that are stable against both Li anodes and high-voltage (above 4 V versus Li/Li+) cathodes. Due to their limited oxidative stability ( 90% over 300 cycles and ~80% over 500 cycles with a charge cut-off voltage of 4.3 V. This study offers a promising approach to enable ether-based electrolytes for high-voltage Li metal battery applications. Ether-based electrolytes offer many advantages compared to other electrolyte systems, but they are not stable in Li metal batteries when operating at high voltages. Here, the authors develop a concentrated ether electrolyte that enables long-term cycling stability of high-voltage Li metal batteries.
670 citations
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TL;DR: In this article, the authors reported that >98% of active reactions from FBA optimal growth solutions are supported by transcriptomic and proteomic data, and when E. coli adapts to growth rate selective pressure, the evolved strains upregulated genes within the optimal growth predictions, and downregulated genes outside of the optimal solutions.
Abstract: After hundreds of generations of adaptive evolution at exponential growth, Escherichia coli grows as predicted using flux balance analysis (FBA) on genome-scale metabolic models (GEMs). However, it is not known whether the predicted pathway usage in FBA solutions is consistent with gene and protein expression in the wild-type and evolved strains. Here, we report that >98% of active reactions from FBA optimal growth solutions are supported by transcriptomic and proteomic data. Moreover, when E. coli adapts to growth rate selective pressure, the evolved strains upregulate genes within the optimal growth predictions, and downregulate genes outside of the optimal growth solutions. In addition, bottlenecks from dosage limitations of computationally predicted essential genes are overcome in the evolved strains. We also identify regulatory processes that may contribute to the development of the optimal growth phenotype in the evolved strains, such as the downregulation of known regulons and stringent response suppression. Thus, differential gene and protein expression from wild-type and adaptively evolved strains supports observed growth phenotype changes, and is consistent with GEM-computed optimal growth states.
636 citations
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TL;DR: It is found the formation of the intragranular cracks is directly associated with high-voltage cycling, an electrochemically driven and diffusion-controlled process.
Abstract: LiNi1/3Mn1/3Co1/3O2-layered cathode is often fabricated in the form of secondary particles, consisting of densely packed primary particles. This offers advantages for high energy density and alleviation of cathode side reactions/corrosions, but introduces drawbacks such as intergranular cracking. Here, we report unexpected observations on the nucleation and growth of intragranular cracks in a commercial LiNi1/3Mn1/3Co1/3O2 cathode by using advanced scanning transmission electron microscopy. We find the formation of the intragranular cracks is directly associated with high-voltage cycling, an electrochemically driven and diffusion-controlled process. The intragranular cracks are noticed to be characteristically initiated from the grain interior, a consequence of a dislocation-based crack incubation mechanism. This observation is in sharp contrast with general theoretical models, predicting the initiation of intragranular cracks from grain boundaries or particle surfaces. Our study emphasizes that maintaining structural stability is the key step towards high-voltage operation of layered-cathode materials.
597 citations
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TL;DR: Experimental and theoretical evidence is reported that small boron clusters prefer planar structures and exhibit aromaticity and antiaromaticity according to the Hückel rules, akin to planar hydrocarbons.
Abstract: An interesting feature of elemental boron and boron compounds is the occurrence of highly symmetric icosahedral clusters. The rich chemistry of boron is also dominated by three-dimensional cage structures. Despite its proximity to carbon in the periodic table, elemental boron clusters have been scarcely studied experimentally and their structures and chemical bonding have not been fully elucidated. Here we report experimental and theoretical evidence that small boron clusters prefer planar structures and exhibit aromaticity and antiaromaticity according to the Huckel rules, akin to planar hydrocarbons. Aromatic boron clusters possess more circular shapes whereas antiaromatic boron clusters are elongated, analogous to structural distortions of antiaromatic hydrocarbons. The planar boron clusters are thus the only series of molecules other than the hydrocarbons to exhibit size-dependent aromatic and antiaromatic behaviour and represent a new dimension of boron chemistry. The stable aromatic boron clusters may exhibit similar chemistries to that of benzene, such as forming sandwich-type metal compounds.
589 citations
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TL;DR: Ab initio studies indicate that Al4(2-) exhibits characteristics of aromaticity with two delocalized pi electrons and a square planar structure and maintains its structural and electronic features in all the MAl4- complexes.
Abstract: Aromaticity is a concept invented to account for the unusual stability of an important class of organic molecules: the aromatic compounds. Here we report experimental and theoretical evidence of aromaticity in all-metal systems. A series of bimetallic clusters with chemical composition MAl4– (M = Li, Na, or Cu), was created and studied with photoelectron spectroscopy and ab initio calculations. All the MAl4– species possess a pyramidal structure containing an M+ cation interacting with a square Al42– unit. Ab initio studies indicate that Al42– exhibits characteristics of aromaticity with two delocalized π electrons (thus following the 4n + 2 electron counting rule) and a square planar structure and maintains its structural and electronic features in all the MAl4– complexes. These findings expand the aromaticity concept into the arena of all-metal species.
560 citations
Authors
Showing all 1477 results
Name | H-index | Papers | Citations |
---|---|---|---|
George M. Whitesides | 240 | 1739 | 269833 |
Yi Cui | 220 | 1015 | 199725 |
Donald G. Truhlar | 165 | 1518 | 157965 |
Ronald W. Davis | 155 | 644 | 151276 |
Richard D. Smith | 140 | 1180 | 79758 |
Yuehe Lin | 118 | 641 | 55399 |
Robert C. Haddon | 112 | 577 | 52712 |
Lai-Sheng Wang | 103 | 576 | 36212 |
Mark H. Engelhard | 103 | 545 | 39864 |
Alex Guenther | 100 | 447 | 45476 |
Gordon E. Brown | 100 | 454 | 32152 |
X. Sunney Xie | 98 | 225 | 44104 |
Jun Li | 98 | 631 | 40958 |
Richard A. Friesner | 97 | 367 | 52729 |
Chongmin Wang | 95 | 451 | 33983 |