Propane dehydrogenation: catalyst development, new chemistry, and emerging technologies

Chemical Society Reviews, Journal Year: 2021, Volume and Issue: 50(5), P. 3315 - 3354

Published: Jan. 1, 2021

This review describes recent advances in the propane dehydrogenation process terms of emerging technologies, catalyst development and new chemistry.

Language: Английский

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Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors

Nature Reviews Materials, Journal Year: 2019, Volume and Issue: 4(12), P. 792 - 804

Published: Nov. 21, 2019

Language: Английский

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Direct Methane Conversion under Mild Condition by Thermo-, Electro-, or Photocatalysis

Chem, Journal Year: 2019, Volume and Issue: 5(9), P. 2296 - 2325

Published: May 27, 2019

Language: Английский

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Room-Temperature Methane Conversion by Graphene-Confined Single Iron Atoms

Chem, Journal Year: 2018, Volume and Issue: 4(8), P. 1902 - 1910

Published: June 19, 2018

Language: Английский

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Strategies to Break the Scaling Relation toward Enhanced Oxygen Electrocatalysis

Matter, Journal Year: 2019, Volume and Issue: 1(6), P. 1494 - 1518

Published: Dec. 1, 2019

Language: Английский

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Selective Activation of Methane on Single-Atom Catalyst of Rhodium Dispersed on Zirconia for Direct Conversion

Journal of the American Chemical Society, Journal Year: 2017, Volume and Issue: 139(48), P. 17694 - 17699

Published: Nov. 10, 2017

Direct methane conversion into value-added products has become increasingly important. Because of inertness methane, cleaving the first C–H bond been very difficult, requiring high reaction temperature on heterogeneous catalysts. Once becomes activated, remaining bonds are successively dissociated metal surface, hindering direct chemicals. Here, a single-atom Rh catalyst dispersed ZrO2 surface synthesized and used for selective activation methane. The single atomic nature was confirmed by extended X-ray fine structure analysis, electron microscopy images, diffuse reflectance infrared Fourier transform spectroscopy. A model Rh/ZrO2 constructed density functional theory calculations, it shown that CH3 intermediates can be energetically stabilized catalyst. performed using H2O2 in aqueous solution or O2 gas phase as oxidants. Whereas nanoparticles produced CO2 only, methanol ethane phase.

Language: Английский

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Confining isolated atoms and clusters in crystalline porous materials for catalysis

Nature Reviews Materials, Journal Year: 2020, Volume and Issue: 6(3), P. 244 - 263

Published: Oct. 23, 2020

Language: Английский

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Direct Methane to Methanol: The Selectivity–Conversion Limit and Design Strategies

ACS Catalysis, Journal Year: 2018, Volume and Issue: 8(8), P. 6894 - 6907

Published: June 29, 2018

Currently, methane is transformed into methanol through the two-step syngas process, which requires high temperatures and centralized production. While slightly exothermic direct partial oxidation of to would be preferable, no such process has been established despite over a century research. Generally, this failure attributed both barriers required activate as well higher activity CH bonds in compared those methane. However, precise general quantification limitations catalytic yet established. Herein, we present simple kinetic model explain selectivity–conversion trade-off that hampers continuous methanol. For same model, apply two distinct methods, (1) using ab initio calculations (2) fitting large experimental database, fully define parameters. We find methods yield strikingly similar results, namely, selectivity direct, can described by conversion, temperature, catalyst-independent difference activation free energies, ΔGa, dictated relative reactivity C–H Stemming from analysis, suggest several design strategies for increasing yields under constraint constant ΔGa. These include "collectors", materials with strong adsorption potential help lower pressure gas phase, aqueous reaction conditions, and/or (3) diffusion-limited systems. By successfully rationalize representative library studies diverse fields heterogeneous, homogeneous, biological, gas-phase catalysis, underscore idea generally limited provide framework understanding evaluating new catalysts processes.

Language: Английский

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Rechargeable Batteries of the Future—The State of the Art from a BATTERY 2030+ Perspective

Advanced Energy Materials, Journal Year: 2021, Volume and Issue: 12(17)

Published: Dec. 5, 2021

Abstract The development of new batteries has historically been achieved through discovery and cycles based on the intuition researcher, followed by experimental trial error—often helped along serendipitous breakthroughs. Meanwhile, it is evident that strategies are needed to master ever‐growing complexity in battery systems, fast‐track transfer findings from laboratory into commercially viable products. This review gives an overview over future needs current state‐of‐the art five research pillars European Large‐Scale Research Initiative BATTERY 2030+, namely 1) Battery Interface Genome combination with a Materials Acceleration Platform (BIG‐MAP), progress toward 2) self‐healing materials, methods for operando, 3) sensing monitor health. These subjects complemented up‐coming optimize 4) manufacturability efforts circular economy implementation 5) recyclability aspects design battery.

Language: Английский

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Electronic Structure Modeling of Metal–Organic Frameworks

Chemical Reviews, Journal Year: 2020, Volume and Issue: 120(16), P. 8641 - 8715

Published: July 16, 2020

Owing to their molecular building blocks, yet highly crystalline nature, metal-organic frameworks (MOFs) sit at the interface between molecule and material. Their diverse structures compositions enable them be useful materials as catalysts in heterogeneous reactions, electrical conductors energy storage transfer applications, chromophores photoenabled chemical transformations, beyond. In all cases, density functional theory (DFT) higher-level methods for electronic structure determination provide valuable quantitative information about properties that underpin functions of these frameworks. However, there are only two general modeling approaches conventional software packages: those treat extended, periodic solids, discrete molecules. Each approach has features benefits; both have been widely employed understand emergent chemistry arises from formation interface. This Review canvases date, with emphasis placed on application explore reactivity electron using periodic, molecular, embedded models. includes (i) computational considerations such how functional, k-grid, other model variables selected insights into MOF properties, (ii) extended solid models MOFs rather than molecules, (iii) mechanics cluster extraction subsequent enabled by models, (iv) catalytic studies solids clusters thereof, (v) embedded, mixed-method approaches, which simulate a fraction material one level remainder another dissimilar theoretical implementation.

Language: Английский

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