Editorial Cite This: J. Phys. Chem. A 2018, 122, 3959−3961
pubs.acs.org/JPCA
Virtual Issue on New Physical Insights key component of the scope of The Journal of Physical Chemistry (JPC) is that the papers we publish need to provide important new physical insights. There are many different points of view as to what this means, often being strongly dependent on subdiscipline, and changing with time as research in a given area evolves. While the issue of new physical insights, and its definition for certain classes of papers (theoretical chemistry, materials synthesis), has been discussed in the “Notice to Authors” for many years, we continue to receive manuscripts where this issue is not addressed. To provide further understanding of this issue, in 2017 the JPC editors wrote a series of Viewpoint papers that discuss what we mean by new physical insights, letting each editor provide his or her perspective on the topic. In this Virtual Issue (VI), I provide a summary of these Viewpoints and discuss some unifying themes. This VI is part of a collection that appeared in early 2018 concerning the journal scope. In the New Tools and Methods in Experiment and Theory VI, published on March 1, 2018, we described a new journal section that will appear in JPC A. This section is intended for papers that develop new physical chemistry methods, and is the one section of JPC where new physical insights is relaxed as a criterion for publication. An Editorial that appeared on March 15, 2018, discussed the revisions to sections in all parts of JPC A, B, C. This includes the New Methods section, but there are revisions and rearrangements to the other sections as well, so that Editorial is intended to guide authors in understanding what these sections mean. Below is a list of the Viewpoints (with links) that have been published (in chronological order) together with a brief description of what each is about. These Viewpoints address how the term “new physical insights” applies to different subdisciplines, but in many respects the issues that they raise involve just a few common themes. Perhaps the most important issue is that the project needs to be pursued so that the how and why of the physical phenomena being studied are addressed. In many subdisciplines, this leads rather naturally into the need to include both experiment and computational modeling in the same study. Or in some cases it is the combination of many experimental measurements or many types of theories that needs to be included. Many papers submitted to JPC involve projects with substantial synthesis and characterization components, perhaps motivated by technological improvements in a method. Such activities are not likely to be successful unless the how and why questions are also addressed, both in the study and specifically in the manuscript. Indeed, choosing the title of the paper and the first sentence of the abstract, writing an effective cover letter, and preparing other aspects of the manuscript are often crucial to conveying the perspective on physical insights that we are looking for. What Does “Important New Physical Insights” Mean? Tips for Writing Better Papers George C. Schatz DOI: 10.1021/acs.jpca.7b04302 This article introduces the overall topic, and describes the goals of the series of Viewpoints on new physical insights. It also
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provides a detailed discussion of one subdiscipline, computational electrodynamics, which is concerned with modeling the optical and electronic properties of nanoparticles and nanostructures. This has evolved significantly in the past 20 years, such that what was leading edge work in the 1990s is now routine. Papers related to this topic need to provide deeper content, such as direct coupling with new experiments, or applications to a new optical process, or new methodology, in order the satisfy the new physical insights requirement. “New Physical Insights” in Theoretical and Computational Studies T. Daniel Crawford and Anne B. McCoy DOI: 10.1021/acs.jpca.7b05908 There has been information in the “Notice to Authors” concerned with Theoretical and Computational Studies for many years. This paper expands on this discussion with specific examples, stressing the importance of the how and why questions for defining new physical insight. Considering “Physical Insights” in Theoretical Studies of Gas Phase Processes Hua Guo and Anne B. McCoy DOI: 10.1021/acs.jpca.7b05943 This Viewpoint emphasizes the coupling between high quality experiment and theory that is possible with research concerned with gas phase processes, and that it is this coupling that often leads to the most important physical insights. This means that routine computational studies of hypothetical systems are not likely to provide the necessary insights. Environmental Processes at the Solid−Liquid Interface: What Constitutes New Physical Insights? D. Howard Fairbrother and Franz M. Geiger DOI: 10.1021/acs.jpca.7b07669 Many important environmental processes in natural systems occur at solid−liquid interfaces. The intrinsic complexity of interfaces requires the use of advanced experimental, computational, and modeling methods, often in the same paper. This Viewpoint provides examples of multicomponent research projects that lead to the desired new physical insights. New Physical Insights: Magnetic Resonance Methods and Applications Sarah C. Larsen DOI: 10.1021/acs.jpca.7b07850 NMR and related magnetic resonances methods provide exciting capabilities in both biological and nonbiological materials. Key to these studies is new molecular level understanding, often involving a combination of experiment and theory, or presenting a new method, that leads to new structure−property relationships, dynamics, or catalytic or biological activity. Not Physical Chemistry (in the Eyes of The Journal of Physical Chemistry) Joan-Emma Shea DOI: 10.1021/acs.jpca.7b09596 Published: April 26, 2018 3959
DOI: 10.1021/acs.jpca.8b01561 J. Phys. Chem. A 2018, 122, 3959−3961
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Jin Z. Zhang DOI: 10.1021/acs.jpcc.7b06473 The study of 2D materials is an active field where it is easy to make or model a new material. However, JPC papers need to provide deeper content. Sometimes this can mean that studies require a combination of theory and experiment leading to a consistent explanation. Another example is when the same methods are used to study a broad range of systems, providing a unified understanding. New Physical Insights from a Computational Catalysis Perspective William F. Schneider DOI: 10.1021/acs.jpcc.7b06535 Computational catalysis is a very active field in JPC, as the software and hardware needed are widely available. To provide insights, such studies must be motivated by and connect to experiments, the mechanistic steps should be critically compared to experiment or other calculations, and the analysis should include the kinetic implications of the results. Other issues include new methods, choice and implementation of computational methods, and readability of the presentation. New Physical Insights for Manuscripts on Organic and Perovskite-based Photovoltaics (and Other Optoelectronic Devices) Benjamin J. Schwartz DOI: 10.1021/acs.jpcc.7b07675 Papers reporting results in this field often emphasize synthesis and routine characterization that lead to improvement in a figure of merit such as photovoltaic efficiency. In order to satisfy the new physical insights criterion, it is essential to provide additional content. Examples include studies of morphology control and structure/function relationships, and studies of electron or hole transport, addressing the “why” question that determines the observed properties. Electronic Materials: The New Physical Insights Narayan Pradhan DOI: 10.1021/acs.jpcc.7b08003 This Viewpoint expands on that by Schwartz concerning the opportunities for new insights in studies of perovskite nanocrystals, chalcopyrites and kesterites, tetrahedrites, and doping effects in all semiconductor nanocrystals. Also discussed are physical processes in electronic materials, and electronic materials for energy applications. New Physical Insights in Experimental Studies in Catalysis Eric Weitz DOI: 10.1021/acs.jpcc.7b09354 Although careful and complete characterization of a catalyst is crucial, this is generally not sufficient for a JPC manuscript. Often it is essential to combine many new experimental techniques with theory, and it is also essential to focus on the molecular level in these studies. Avoiding the Reject after Editorial Review for X and Characterization [Where X = Synthesis, Preparation, or Fabrication] John Fourkas DOI: 10.1021/acs.jpca.7b11005 The focus of this Viewpoint is on how to improve papers in the materials synthesis and characterization field. A key issue is to keep “X and characterization” out of the title or first sentence of the abstract. It is also important to show that the new insights are both important and generalizable. Organization of the paper, not just presenting the work in historical order, is important, and a secret weapon is an effective cover letter.
This paper examines the meaning of terms and phrases related to research in physical chemistry (broadly interpreted), and concludes that the important issue contained in “new physical insights” is that the work explains the reason, and hence the how and why, behind a certain phenomenon. “New Physical Chemistry Insight” in Experimental BioPhysical Chemistry Kankan Bhattacharyya, Gang-yu Liu, and Martin T. Zanni DOI: 10.1021/acs.jpcb.7b05757 This article is relevant to experimental papers concerned with biomolecule properties and biophysical characterization. There have been significant advances in this field as a result of new spectroscopic techniques and imaging, leading to significant interest in studying disordered proteins and surfactant assemblies. However, new data alone are not enough. The article also identifies some topics that are ripe for new studies, including live cell studies, cellular machinery and dynamical processes, and methods from big data and machine learning. More than Virtual Reality: Important New Physical Insights in Simulations of Biomolecules and Synthetic Polymers Arun Yethiraj and Pavel Jungwirth DOI: 10.1021/acs.jpcb.7b05957 Biomolecular simulations need to satisfy the following in order to provide appropriate new physical insights: (i) a biochemically/ biophysically relevant problem is addressed, (ii) innovative molecular simulations are competently executed, and (iii) direct relation to experiment is established. What is “New Physical Insight”? Answers for the Colloidal Nanoplasmonic, Nanobio Community and Others Catherine J. Murphy DOI: 10.1021/acs.jpcc.7b05313 We receive a lot of experimental papers concerned with nanomaterials and interfaces, including applications to optical properties, biosensors, imaging agents, and therapeutics. A general statement about papers that are likely to be successful is that they present “data that makes you sit up and think”. Thus, “mere observations” are not sufficient; deep understanding, often coupling experiment and theory, is essential. New Physical Chemistry Insight for Solid-State Materials Gregory Hartland DOI: 10.1021/acs.jpcc.7b05878 While “plasmonics, optical materials, and hard matter” is a broad topic within JPC C, papers whose primary focus is on synthesis are unlikely to be published. This especially is an issue with studies of the photophysics of rare earths, the properties of doped glasses, and many magnetic property measurements. The Viewpoint notes that a good way to determine if an article might fit is to look for overlap with articles previously published in JPC. What is “New Physical Insight”? Suggestions for Transport Studies Gemma S. Solomon DOI: 10.1021/acs.jpcc.7b06249 “It is impossible to know we have ‘the right answer for the right reasons’ in studies of transport”, which contrasts with the situation in many other areas of physical chemistry. Thus, articles concerned with electrical, thermal, molecular, and other kinds of transport need either to provide (1) a new method that is a significant improvement over existing methods, or (2) improved qualitative understanding of chemical trends in transport properties. What Does “Important New Physical Insight” Mean? Answers for the Community of 2D Materials Experimental Researchers 3960
DOI: 10.1021/acs.jpca.8b01561 J. Phys. Chem. A 2018, 122, 3959−3961
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Suitability of Technology-Driven Research for The Journal of Physical Chemistry C Tim Minton and Amy Mullin DOI: 10.1021/acs.jpcc.7b11150 Many papers submitted to JPC are based on a superior method or material that might result from the introduction of a new technology. Such papers are unlikely to satisfy the new physical insights criterion unless great care is made in design of the research program, and in preparation of the manuscript. The Viewpoint describes some important pitfalls to avoid for publishing in JPC. Physical Insights from New Nanomaterials in Biology Robert M. Dickson DOI: 10.1021/acs.jpcb.7b11153 Materials for biological applications show up in many areas− contrast agents, sensors, photocatalysts, phosphors, drug delivery systems, etc. While these are important fields, papers for JPC need to be focused on new physical insights. The Viewpoint presents several examples where issues of How and Why need to be included in the project in order to make it appropriate for JPC. What is “New Physical Insight” in Surface Photocatalytic Water Splitting? Xueming Yang DOI: 10.1021/acs.jpca.7b11305 Photocatalysis is a major topic for papers in JPC, but papers may not be appropriate unless an important physical question can be identified in a study, and new insights provided. Thus, it is important to keep this perspective in mind throughout pursuit of a project. Is the Supporting Information the Venue for Reproducibility and Transparency? Benjamin Rudshteyn, Atanu Acharya, and Victor S. Batista DOI: 10.1021/acs.jpca.7b11663 This last Viewpoint addresses an important issue in manuscript preparation that is important for generating functional papers, and (indirectly) for providing new physical insights, namely, the contents and preparation of Supporting Information in the paper. The paper discusses the inclusion of experimental data and parameters for theoretical calculations that are essential for reproducibility. Other repositories beyond SI are useful in some contexts, but in all cases considerations of copyright and open access need to be addressed.
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George C. Schatz, Editor-in-Chief ASSOCIATED CONTENT
* Supporting Information S
The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpca.8b01561. Table of contents for the Virtual Issue on New Physical Insights (PDF)
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AUTHOR INFORMATION
ORCID
George C. Schatz: 0000-0001-5837-4740 Notes
Views expressed in this editorial are those of the author and not necessarily the views of the ACS. This Editorial is jointly published in The Journal of Physical Chemistry A/B/C.
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DOI: 10.1021/acs.jpca.8b01561 J. Phys. Chem. A 2018, 122, 3959−3961
