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, Ion, Adsorption
Papers published on a yearly basis
Papers
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TL;DR: FC-Cu-EDA-SAMMS has great potential to be used as orally administered drug for limiting the absorption of radioactive Cs and toxic Tl in gastrointestinal tract and was less affected by the solution pH, competing cations, and matrices.
343 citations
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TL;DR: The objective of this work is to review those aspects of the field that are pertinent to targeted α-particle emitter therapy and to provide guidance and recommendations for human α- Particle Emitter dosimetry.
Abstract: The potential of α-particle emitters to treat cancer has been recognized since the early 1900s. Advances in the targeted delivery of radionuclides and radionuclide conjugation chemistry, and the increased availability of α-emitters appropriate for clinical use, have recently led to patient trials of radiopharmaceuticals labeled with α-particle emitters. Although α-emitters have been studied for many decades, their current use in humans for targeted therapy is an important milestone. The objective of this work is to review those aspects of the field that are pertinent to targeted α-particle emitter therapy and to provide guidance and recommendations for human α-particle emitter dosimetry.
343 citations
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TL;DR: The vibrational normal modes in a single molecule are imaged using tip-enhanced Raman spectromicroscopy performed in the atomistic near-field, and ångström-scale resolution is attained at subatomic separation between the tip atom and a molecule in the quantum tunnelling regime of plasmons.
Abstract: The internal vibrations of molecules drive the structural transformations that underpin chemistry and cellular function. While vibrational frequencies are measured by spectroscopy, the normal modes of motion are inferred through theory because their visualization would require microscopy with angstrom-scale spatial resolution—nearly three orders of magnitude smaller than the diffraction limit in optics1. Using a metallic tip to focus light and taking advantage of the surface-enhanced Raman effect2 to amplify the signal from individual molecules, tip-enhanced Raman spectromicroscopy (TER-SM)3,4 reaches the requisite sub-molecular spatial resolution5, confirming that light can be confined in picocavities6–10 and anticipating the direct visualization of molecular vibrations11–13. Here, by using TER-SM at the precisely controllable junction of a cryogenic ultrahigh-vacuum scanning tunnelling microscope14–16, we show that angstrom-scale resolution is attained at subatomic separation between the tip atom and a molecule in the quantum tunnelling regime of plasmons6,8,9,17. We record vibrational spectra within a single molecule, obtain images of normal modes and atomically parse the intramolecular charges and currents driven by vibrations. Our analysis provides a paradigm for optics in the atomistic near-field. The vibrational normal modes in a single molecule are imaged using tip-enhanced Raman spectromicroscopy performed in the atomistic near-field.
342 citations
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TL;DR: This Perspective discussed the best practices for reporting lab-scale performance metrics in battery papers, and explained metrics such as anode energy density, voltage hysteresis, mass of non-active cell components and anode/cathode mass ratio.
Abstract: Batteries have shaped much of our modern world. This success is the result of intense collaboration between academia and industry over the past several decades, culminating with the advent of and improvements in rechargeable lithium-ion batteries. As applications become more demanding, there is the risk that stunted growth in the performance of commercial batteries will slow the adoption of important technologies such as electric vehicles. Yet the scientific literature includes many reports describing material designs with allegedly superior performance. A considerable gap needs to be filled if we wish these laboratory-based achievements to reach commercialization. In this Perspective, we discuss some of the most relevant testing parameters that are often overlooked in academic literature but are critical for practical applicability outside the laboratory. We explain metrics such as anode energy density, voltage hysteresis, mass of non-active cell components and anode/cathode mass ratio, and we make recommendations for future reporting. We hope that this Perspective, together with other similar guiding principles that have recently started to emerge, will aid the transition from lab-scale research to next-generation practical batteries. This Perspective discussed the best practices for reporting lab-scale performance metrics in battery papers.
342 citations
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Pacific Northwest National Laboratory1, Lawrence Berkeley National Laboratory2, National Center for Computational Sciences3, Brookhaven National Laboratory4, Argonne National Laboratory5, Intel6, University of Texas at Arlington7, State University of New York System8, Pennsylvania State University9, Oak Ridge National Laboratory10, Washington University in St. Louis11, Wellesley College12, Maria Curie-Skłodowska University13, Iowa State University14, Academy of Sciences of the Czech Republic15, University of Tennessee at Martin16, Université libre de Bruxelles17, Facebook18, Russian Academy of Sciences19, University of Minnesota20, University of Washington21, United States Naval Research Laboratory22, Georgia Institute of Technology23, University of St Andrews24, Universidad Autónoma Metropolitana25, University of California, San Diego26, Saarland University27, Sandia National Laboratories28, University of Illinois at Urbana–Champaign29, University of Iceland30, Australian National University31, Florida Institute of Technology32, University of Science and Technology of China33, Oswaldo Cruz Foundation34, Cardiff University35, Louisiana State University36, Chinese Academy of Sciences37, National Autonomous University of Mexico38, University of Florida39, Los Alamos National Laboratory40, University of Oviedo41, Prince of Songkla University42, Ames Laboratory43, University of Utah44, Northwestern University45, Universal Display Corporation46, Federal University of Pernambuco47, CD-adapco48, Cray49, Massachusetts Institute of Technology50, Nvidia51, University of Tennessee52, Shandong Normal University53, University of Cambridge54, Advanced Micro Devices55, Technische Universität München56, Stanford University57, Wuhan University of Technology58, Stony Brook University59
TL;DR: The NWChem computational chemistry suite is reviewed, including its history, design principles, parallel tools, current capabilities, outreach, and outlook.
Abstract: Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach, and outlook.
342 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 |