Catalyst design in asymmetric reaction development has traditionally been driven by empiricism, wherein experimentalists attempt to qualitatively recognize structural patterns to improve selectivity. Machine learning algorithms and chemoinformatics can potentially accelerate this process by recognizing otherwise inscrutable patterns in large datasets. Herein we report a computationally guided workflow for chiral catalyst selection using chemoinformatics at every stage of development. Robust molecular descriptors that are agnostic to the catalyst scaffold allow for selection of a universal training set on the basis of steric and electronic properties. This set can be used to train machine learning methods to make highly accurate predictive models over a broad range of selectivity space. Using support vector machines and deep feed-forward neural networks, we demonstrate accurate predictive modeling in the chiral phosphoric acid–catalyzed thiol addition to N-acylimines.
Paper-based supercapacitors (SCs), a novel and interesting group of flexible energy storage devices, are attracting more and more attention from both industry and academia. Cellulose papers with a unique porous bulk structure and rough and absorptive surface properties enable the construction of paper-based SCs with a reasonably good performance at a low price. The inexpensive and environmentally friendly nature of paper as well as simple fabrication techniques make paper-based SCs promising candidates for the future 'green' and 'once-use-and-throw-away' electronics. This review introduces the design, fabrication and applications of paper-based SCs, giving a comprehensive coverage of this interesting field. Challenges and future perspectives are also discussed.
As a thriving member of the 2D nanomaterials family, MXenes, i.e., transition metal carbides, nitrides, and carbonitrides, exhibit outstanding electrochemical, electronic, optical, and mechanical properties. They have been exploited in many applications including energy storage, electronics, optoelectronics, biomedicine, sensors, and catalysis. Compared to other 2D materials, MXenes possess a unique set of properties such as high metallic conductivity, excellent dispersion quality, negative surface charge, and hydrophilicity, making them particularly suitable as inks for printing applications. Printing and pre/post-patterned coating methods represent a whole range of simple, economically efficient, versatile, and eco-friendly manufacturing techniques for devices based on MXenes. Moreover, printing can allow for complex 3D architectures and multifunctionality that are highly required in various applications. By means of printing and patterned coating, the performance and application range of MXenes can be dramatically increased through careful patterning in three dimensions; thus, printing/ coating is not only a device fabrication tool but also an enabling tool for new applications as well as for industrialization.devices. This is because solution processes such as liquid-phase exfoliation is crucial for the dispersion formation and mass production, as well as for the postsynthesis treatments on the 2D nanosheets such as sorting in terms of flake size and thickness, functionalization, compositing, etc., all of which are crucial for the ink formulation process required by printing. [6] Printed electronics technology has acquired considerable interest from both academia and industry recently. [7][8][9] Unlike traditional methods such as vacuum deposition and photolithography, printing technologies hold great promise for fast, high-volume, and low-cost manufacturing, especially for the fabrication of flexible devices. [10][11][12][13][14][15] The combination of 2D materials with printing started as early as 2012 when liquid-phase-exfoliated graphene dispersion was inkjet-printed to fabricate field-effect transistors. [16] It has since progressed from directly using the unoptimized dispersion obtained from the solution processing as inks to making formulated inks targeted toward specific printing methods and target applications (e.g., conductive tracks, transparent electrodes, transistors, photodetectors, energy storage devices such as supercapacitors, batteries, sensors, etc.). [17][18][19][20][21] As a new member to the 2D nanomaterials family, transition metal carbides, nitrides, and carbonitrides, also known as MXenes, possess outstanding electrochemical, electronic, optical, and mechanical properties, and thus have shown great promise in applications including energy storage, electronics, optoelectronics, biomedicine, sensors, and catalysis. [22][23][24][25] Research on MXenes dates back to 2011 when single-layered titanium carbide Ti 3 C 2 was synthesized and separated for the first time, [26] and has since evol...
This review summarizes how printing methods can revolutionize the manufacturing of supercapacitors – promising energy storage devices for flexible electronics.
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