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[ASAP] Influence of the Combination System of Wet Flue Gas Desulfurization and a Wet Electrostatic Precipitator on the Distribution of Polycyclic Aromatic Hydrocarbons in Flue Gas from a Coal-Fired Industrial Plant

Energy & Fuels
DOI: 10.1021/acs.energyfuels.0c00389




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[ASAP] Inhibited Phase Segregation to Enhance the Redox Performance of NiFe<sub>2</sub>O<sub>4</sub> via CeO<sub>2</sub> Modification in the Chemical Looping Process

Energy & Fuels
DOI: 10.1021/acs.energyfuels.0c00686




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The red sofa / Michèle Lesbre ; translated by Nicole and David Ball

Hayden Library - PQ2672.E7356 C3613 2016




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A climate of fear / Fred Vargas ; translated from the French by Siân Reynolds

Hayden Library - PQ2682.A725 T4613 2017




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Proust & his banker: in search of time squandered / Gian Balsamo

Hayden Library - PQ2631.R63 Z52514 2017




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One toss of the dice: the incredible story of how a poem made us modern / R. Howard Bloch ; translation of "Un coup de dés jamais n'abolira le hasard" by J.D. McClatchy

Hayden Library - PQ2344.C63 B57 2017




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Think of Lampedusa / Josué Guébo ; translated by Todd Fredson ; introduction by John Keene

Hayden Library - PQ3989.3.G77 A2 2017




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Gaming masculinity: trolls, fake geeks, and the gendered battle for online culture / Megan Condis

Hayden Library - GV1469.34.S52 C65 2018




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Developing 2D games with Unity: independent game programming with C# / Jared Halpern

Online Resource




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[ASAP] <sup>13</sup>C NMR Relaxation Analysis of Protein GB3 for the Assessment of Side Chain Dynamics Predictions by Current AMBER and CHARMM Force Fields

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00050




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[ASAP] Bottom-Up Nonempirical Approach To Reducing Search Space in Enzyme Design Guided by Catalytic Fields

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00139




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[ASAP] Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01144




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[ASAP] Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00065




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[ASAP] Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00229




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[ASAP] Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00126




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[ASAP] Revealing Acquired Resistance Mechanisms of Kinase-Targeted Drugs Using an on-the-Fly, Function-Site Interaction Fingerprint Approach

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01134




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[ASAP] Accurate and Efficient Prediction of NMR Parameters of Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01298




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[ASAP] Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00070




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[ASAP] Reduced-Order Modeling Approach for Electron Transport in Molecular Junctions

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01090




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[ASAP] Predicting Reactive Cysteines with Implicit-Solvent-Based Continuous Constant pH Molecular Dynamics in Amber

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00258




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[ASAP] Charge Interactions Modulate the Encounter Complex Ensemble of Two Differently Charged Disordered Protein Partners of KIX

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01264




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The high-accuracy prediction of carbon content in semi-coke by laser-induced breakdown spectroscopy

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/C9JA00443B, Paper
Xiangjun Xu, Angze Li, Xianshuang Wang, Chunjie Ding, Suling Qiu, Yage He, Tianqi Lu, Feng He, Bingsuo Zou, Ruibin Liu
LIBS technology is used in the realization process of semi-coke detection.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Iso-Compass: new freeware software for isotopic data reduction of LA-MC-ICP-MS

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00084A, Technical Note
Wen Zhang, Zhaochu Hu, Yongsheng Liu
New freeware, Iso-Compass, is developed specifically to process the isotope data from LA-MC-ICP-MS and MC-ICP-MS.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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A total consumption (up to 75 μL min−1) infrared-heated sample introduction system for inductively coupled plasma optical emission spectrometry

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00068J, Paper
Ahmed Al Hejami, Mirah J. Burgener, John Burgener, Diane Beauchemin
A compact infrared-heated sample introduction system provides similar analytical performance with higher robustness and faster washout than commercially available nebulization systems.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Four Bold Social Media Predictions For 2020

Predicting the future of social media is always fun.

Emerging platforms, secured patents, new tactics and demographic shifts are just a few things to consider when making a prediction.

So, what is next with social media as we look ahead to 2020? Here are four big predictions on the future of social media in 2020.

complete article




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16 predictions for social networks in 2020

And just like that, we have reached the final issue of the year — and also, somehow, the decade. As is tradition around here, let’s close out the year with some predictions from you about where platforms and democracy are headed in 2020 and beyond.

Thanks to everyone who contributed. Here are your thoughts, along with some of mine. This year, I’m ordering these in roughly how likely I think they are. So, the most likely things to happen at the top, and we move further into crazy town as you scroll down. Generally speaking, I feel more comfortable predicting product moves than policy shifts.

16 predictions for social networks in 2020




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The Social Network Predicted The 2010s

David Finchers The Social Network seems quite prophetic considering how the 2010s turned out. With its focus on the digitization of social interaction as well as the need for social engagement and the advantages of sociopathy in powerful people combined with the power of public shaming, The Social Network explores the contradictions that animated the culture of this decade.

The Social Network Predicted The 2010s




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Mailbrew launches to create auto email newsletters from Reddit, Twitter, YouTube, RSS feeds

A new service called Mailbrew is live that lets you created automated email newsletters. You can set them up from multiple sources including Twitter, Reddit, YouTube, RSS feeds, and more.

Mailbrew aims to save you time by rounding up the news and updates you care about from a variety of sources and popping it in a daily, weekly, or monthly automated email newsletter.

To start, you can create custom brews, choose from pre-made ones, or make use of both. You even get to choose the layout you’d like to use for the newsletters.

complete article




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The 2020 Ranking Of Free-Market Think Tanks Measured By Social Media Impact

Due to the coronavirus pandemic think tanks around the world are working under quarantine and have cancelled all events in the coming months. They will have to rely more on social media to get their messages across. How successful are free-market think tanks today in trying to attract traffic to their websites, as well as views and followers on other platforms?

complete article




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Private mobile phones restored in Kashmir; situation remains calm




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What Fred Warner learned from 49ers' tough Super Bowl loss vs. Chiefs

Fred Warner has watched Super Bowl LIV a few times, and he knows what went wrong against the Chiefs.




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49ers schedule 2020: Predicting why they can, can't match 2019 success

The 49ers are going to be good next season. But how good?




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Fred Smoot thinks Arizona's Isaiah Simmons reminds him of Sean Taylor

Fred Smoot compared the Cardinals' defender to his former teammate Sean Taylor.




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NFL Network's Mike Robinson: Philadelphia Eagles should still be favored vs. Dallas Cowboys in NFC East

NFL Network's Mike Robinson believes the Philadelphia Eagles should still be favored vs. Dallas Cowboys in the NFC East.




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How 49ers lucked out with 2020 NFL schedule compared to last season

The 49ers are far less likely to encounter the extreme weather they dealt with at various points last season.




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Recent advances in nanostructured intermetallic electrocatalysts for renewable energy conversion reactions

J. Mater. Chem. A, 2020, 8,8195-8217
DOI: 10.1039/D0TA01809K, Review Article
Ho Young Kim, Sang Hoon Joo
This review summarises recent advances in the synthesis and electrocatalytic application of intermetallic nanostructures.
The content of this RSS Feed (c) The Royal Society of Chemistry




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An analytical method to characterize the crystal structure of layered double hydroxides: synthesis, characterization, and electrochemical studies of zinc-based LDH nanoplates

J. Mater. Chem. A, 2020, 8,8692-8699
DOI: 10.1039/D0TA01774D, Paper
Jiyong Chung, Jaeyoung Lee, Jae Kyeom Kim, Minseong Kim, Kug-Seung Lee, Seung-Joo Kim, Min Hyung Lee, Taekyung Yu
Due to their unique soft and complex structure, it has been difficult to analyze the exact crystal structure of layered double hydroxides (LDHs), which has been a major obstacle to understanding and improving the catalytic properties of LDHs.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Robust FeOOH/BiVO4/Cu(In, Ga)Se2 tandem structure for solar-powered biocatalytic CO2 reduction

J. Mater. Chem. A, 2020, 8,8496-8502
DOI: 10.1039/D0TA02069A, Paper
Jinhyun Kim, Yang Woo Lee, Eun-Gyu Choi, Passarut Boonmongkolras, Byoung Wook Jeon, Hojin Lee, Seung Tae Kim, Su Keun Kuk, Yong Hwan Kim, Byungha Shin, Chan Beum Park
A robust, scalable FeOOH/BiVO4/Cu(In,Ga)Se2 tandem structure achieves unbiased, long-term photobiocatalytic conversion of CO2 to formate.
The content of this RSS Feed (c) The Royal Society of Chemistry




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An advanced three-dimensionally ordered macroporous NiCo2O4 spinel as a bifunctional electrocatalyst for rechargeable Zn–air batteries

J. Mater. Chem. A, 2020, 8,8554-8565
DOI: 10.1039/D0TA00874E, Paper
José Béjar, Lorena Álvarez-Contreras, Janet Ledesma-García, Noé Arjona, Luis Gerardo Arriaga
A rechargeable ZAB was assembled using a NiCo2O4 3DOM spinel displaying an open circuit potential of 1.44 V, a power density of 101 mW cm−2, and a high durability during charge/discharge cycling (being operated for 21 h).
The content of this RSS Feed (c) The Royal Society of Chemistry




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A strategy to unlock the potential of CrN as a highly active oxygen reduction reaction catalyst

J. Mater. Chem. A, 2020, 8,8575-8585
DOI: 10.1039/C9TA14085A, Paper
Junming Luo, Xiaochang Qiao, Jutao Jin, Xinlong Tian, Hongbo Fan, Demei Yu, Wenlong Wang, Shijun Liao, Neng Yu, Yijie Deng
The potential of CrN as highly active ORR catalyst can be unlocked by enhancing its conductivity, enriching its d electrons and enlarging the exposure of active sites.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Testing the predictive power of theory for PdxIr(100−x) alloy nanoparticles for the oxygen reduction reaction

J. Mater. Chem. A, 2020, 8,8421-8429
DOI: 10.1039/C9TA13711D, Paper
Hongyu Guo, Jamie A. Trindell, Hao Li, Desiree Fernandez, Simon M. Humphrey, Graeme Henkelman, Richard M. Crooks
PdxIr(100−x) alloys synthesized via a microwave-assisted polyol method serve as an ideal experimental system to improve theoretical insight of the material properties towards the ORR.
The content of this RSS Feed (c) The Royal Society of Chemistry




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UV-cured eutectic gel polymer electrolytes for safe and robust Li-ion batteries

J. Mater. Chem. A, 2020, 8,8485-8495
DOI: 10.1039/D0TA01901A, Paper
Matthew W. Logan, Spencer Langevin, Bing Tan, Adam W. Freeman, Christopher Hoffman, Douglas B. Trigg, Konstantinos Gerasopoulos
We report UV-cured eutectic gel polymer electrolytes that improve cell performance, non-flammability, and water tolerance compared to the liquid solvent.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Synchronous surface and bulk composition management for red-shifted light absorption and suppressed interfacial recombination in perovskite solar cells

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA02449J, Paper
Jun-Xing Zhong, Jin-Feng Liao, Yong Jiang, Lianzhou Wang, Dai-Bin Kuang, Wu-Qiang Wu
Perovskite solar cells with a reverse vertical gradient distribution of α/δ-FAPbI3 achieved a record efficiency of up to 21.9% owing to synergistic advantages of expanded photon harvesting and robust surface defect passivation.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Fe/Fe3C nanoparticle-decorated N-doped carbon nanofibers for improving the nitrogen selectivity of electrocatalytic nitrate reduction

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA02317E, Paper
Yue Lan, Junliang Chen, Hui Zhang, Wei-xian Zhang, Jianping Yang
N-doped carbon nanofibers embedded with Fe/Fe3C nanodomains demonstrate superior electrocatalytic nitrate reduction ability and nitrogen selectivity.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Highly efficient and durable aqueous electrocatalytic reduction of CO2 to HCOOH with a novel bismuth–MOF: experimental and DFT studies

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA00384K, Paper
Xurui Zhang, Yanxing Zhang, Qingqing Li, Xiaodong Zhou, Qingyu Li, Jin Yi, Yuyu Liu, Jiujun Zhang
Electrochemical reduction of carbon dioxide (ERCO2) to low-carbon fuel and useful chemicals, which can simultaneously store renewable energy and recover CO2 in a green manner, has proven to be a viable energy storage and conversion strategy.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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A Cu2B2 monolayer with planar hypercoordinate motifs: an efficient catalyst for CO electroreduction to ethanol

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA02471F, Paper
Jingjing Jia, Haijun Zhang, Zhongxu Wang, Jingxiang Zhao, Zhen Zhou
By means of first-principles computations, we identified that metallic Cu2B2 monolayer with planar heptacoordinate motifs could effectively reduce CO to ethanol through the “carbene” mechanism with a low limiting potential and a small barrier for C–C coupling.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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A novel integrated Cr(VI) adsorption–photoreduction system using MOF@polymer composite beads

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA01046D, Paper
Bardiya Valizadeh, Tu N. Nguyen, Stavroula Kampouri, Daniel T. Sun, Mounir D. Mensi, Kyriakos Stylianou, Berend Smit, Wendy L. Queen
Herein, a novel integrated adsorption–photoreduction system, which captures highly mobile and toxic hexavalent chromium (Cr(VI)) from real-world water samples and reduces it to less mobile and benign Cr(III) species, was designed.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Surface-Functionalized Palladium Catalysts for Electrochemical CO2 Reduction

J. Mater. Chem. A, 2020, Accepted Manuscript
DOI: 10.1039/D0TA03427D, Paper
Rong Xia, Sheng Zhang, Xinbin Ma, Feng Jiao
Rational design and synthesis of efficient catalysts for electrochemical CO2 reduction is a critical step towards practical CO2 electrolyzer systems. In this work, we report a strategy to tune the...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Exceeding the Volcano Relationship in Oxygen Reduction/Evolution Reactions using Single-atom-based Catalysts with Dual-active-sites

J. Mater. Chem. A, 2020, Accepted Manuscript
DOI: 10.1039/D0TA01399D, Communication
Xiyu Li, Sai Duan, Edward Sharman, Yuan Zhao, Li Yang, Zhiwen Zhuo, Peng Cui, Jun Jiang, Yi Luo
Finding cost-effective catalysts to drive oxygen reduction/evolution reactions (ORR/OER) is a highly attractive goal. Most catalysts follow a volcano relationship of performance, making it difficult to search thoroughly enough among...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Plasmon-Enhanced Electrocatalytic Oxygen Reduction in Alkaline Media on Gold Nanohole Electrodes

J. Mater. Chem. A, 2020, Accepted Manuscript
DOI: 10.1039/C9TA14174J, Paper
Nait Saada Tamazouzt, Anderson da Silva, Palaniappan Subramanian, Liuqing Pang, Noual Adnane, Bahram Djafari-Rouhani, Vladyslav Mishyn, Dalila Meziane, Sorin Melinte, Georgiana Sandu, Franck Dumeignil, Sebastien Paul, Robert Wojcieszak, Rabah Boukherroub, Sabine Szunerits
Plasmon-driven chemical transformation has become a promising approach for enhancing sluggish electrocatalytic reactions. Herein, an alternative enhancement strategy employing plasmon-induced hot electrons is developed to be competitive with oxygen reduction...
The content of this RSS Feed (c) The Royal Society of Chemistry