Institution
Pacific Northwest National Laboratory
Facility•Richland, Washington, United States•
About: Pacific Northwest National Laboratory is a facility organization based out in Richland, Washington, United States. It is known for research contribution in the topics: Catalysis & Aerosol. The organization has 11581 authors who have published 27934 publications receiving 1120489 citations. The organization is also known as: PNL & PNNL.
Topics: Catalysis, Aerosol, Mass spectrometry, Population, Ion
Papers published on a yearly basis
Papers
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TL;DR: A synthetic nickel complex catalyzes the production of H2 using protonated dimethylformamide as the proton source, with turnover frequencies of 33,000 per second in dry acetonitrile and 106,000 s−1 in the presence of 1.2 M of water.
Abstract: Reduction of acids to molecular hydrogen as a means of storing energy is catalyzed by platinum, but its low abundance and high cost are problematic. Precisely controlled delivery of protons is critical in hydrogenase enzymes in nature that catalyze hydrogen (H(2)) production using earth-abundant metals (iron and nickel). Here, we report that a synthetic nickel complex, [Ni(P(Ph)(2)N(Ph))(2)](BF(4))(2), (P(Ph)(2)N(Ph) = 1,3,6-triphenyl-1-aza-3,6-diphosphacycloheptane), catalyzes the production of H(2) using protonated dimethylformamide as the proton source, with turnover frequencies of 33,000 per second (s(-1)) in dry acetonitrile and 106,000 s(-1) in the presence of 1.2 M of water, at a potential of -1.13 volt (versus the ferrocenium/ferrocene couple). The mechanistic implications of these remarkably fast catalysts point to a key role of pendant amines that function as proton relays.
961 citations
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TL;DR: In this article, the role of nonionic surfactant is investigated in carbon nanotube/polymer composites and the pathways to improve dispersion and modify interfacial bonding.
Abstract: Interfacial interaction is one of the most critical issues in carbon nanotube/polymer composites In this paper the role of nonionic surfactant is investigated With the surfactant as the processing aid, the addition of only 1 wt % carbon nanotubes in the composite increases the glass transition temperature from 63 °C to 88 °C The elastic modulus is also increased by more than 30% In contrast, the addition of carbon nanotubes without the surfactant only has moderate effects on the glass transition temperature and on the mechanical properties This work points to the pathways to improve dispersion and to modify interfacial bonding in carbon nanotube/polymer composites
958 citations
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TL;DR: In this paper, LiPF6 was used as an additive in LiTFSI-LiBOB dual-salt/carbonate-solvent-based electrolytes to enhance the charging capability and cycling stability of Li metal batteries.
Abstract: Batteries using lithium (Li) metal as anodes are considered promising energy storage systems because of their high energy densities. However, safety concerns associated with dendrite growth along with limited cycle life, especially at high charge current densities, hinder their practical uses. Here we report that an optimal amount (0.05 M) of LiPF6 as an additive in LiTFSI–LiBOB dual-salt/carbonate-solvent-based electrolytes significantly enhances the charging capability and cycling stability of Li metal batteries. In a Li metal battery using a 4-V Li-ion cathode at a moderately high loading of 1.75 mAh cm−2, a cyclability of 97.1% capacity retention after 500 cycles along with very limited increase in electrode overpotential is accomplished at a charge/discharge current density up to 1.75 mA cm−2. The fast charging and stable cycling performances are ascribed to the generation of a robust and conductive solid electrolyte interphase at the Li metal surface and stabilization of the Al cathode current collector. Deployment of rechargeable Li metal batteries requires fast charging capability and long-term cycling stability. Here the authors demonstrate the battery application potential of using a small amount of LiPF6 in a dual-salt electrolyte.
955 citations
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TL;DR: A review of mesoporous materials can be found in this paper, where the authors summarize the primary methods for preparing mesopore materials and discuss their applications as electrodes and/or catalysts in solar cells, solar fuel production, rechargeable batteries, supercapacitors and fuel cells.
Abstract: To meet the growing energy demands in a low-carbon economy, the development of new materials that improve the efficiency of energy conversion and storage systems is essential. Mesoporous materials offer opportunities in energy conversion and storage applications owing to their extraordinarily high surface areas and large pore volumes. These properties may improve the performance of materials in terms of energy and power density, lifetime and stability. In this Review, we summarize the primary methods for preparing mesoporous materials and discuss their applications as electrodes and/or catalysts in solar cells, solar fuel production, rechargeable batteries, supercapacitors and fuel cells. Finally, we outline the research and development challenges of mesoporous materials that need to be overcome to increase their contribution in renewable energy applications. Mesoporous materials are finding increasing uses in energy conversion and storage devices. This Review highlights recent developments in the synthesis of mesoporous materials and their applications as electrodes and/or catalysts in solar cells, solar fuel production, rechargeable batteries, supercapacitors and fuel cells.
949 citations
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University of Paderborn1, University of Zurich2, Lawrence Berkeley National Laboratory3, IBM4, McGill University5, ETH Zurich6, Victoria University, Australia7, Aalto University8, University of Regensburg9, University of Lincoln10, Intel11, Pacific Northwest National Laboratory12, University of Insubria13, Bosch14, Science and Technology Facilities Council15, Paul Scherrer Institute16
TL;DR: CP2K as discussed by the authors is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems, especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-the-art ab initio molecular dynamics simulations.
Abstract: CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-the-art ab initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post–Hartree–Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension.
938 citations
Authors
Showing all 11848 results
Name | H-index | Papers | Citations |
---|---|---|---|
Yi Cui | 220 | 1015 | 199725 |
Derek R. Lovley | 168 | 582 | 95315 |
Xiaoyuan Chen | 149 | 994 | 89870 |
Richard D. Smith | 140 | 1180 | 79758 |
Taeghwan Hyeon | 139 | 563 | 75814 |
Jun Liu | 138 | 616 | 77099 |
Federico Capasso | 134 | 1189 | 76957 |
Jillian F. Banfield | 127 | 562 | 60687 |
Mary M. Horowitz | 127 | 557 | 56539 |
Frederick R. Appelbaum | 127 | 677 | 66632 |
Matthew Jones | 125 | 1161 | 96909 |
Rainer Storb | 123 | 905 | 58780 |
Zhifeng Ren | 122 | 695 | 71212 |
Wei Chen | 122 | 1946 | 89460 |
Thomas E. Mallouk | 122 | 549 | 52593 |