Theoretical Perspectives on the Modulation of Carbon on Transition-Metal Catalysts for Conversion of Carbon-Containing Resources,ACS Catalysis

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Theoretical Perspectives on the Modulation of Carbon on Transition-Metal Catalysts for Conversion of Carbon-Containing Resources
ACS Catalysis ( IF 11.3 ) Pub Date : 2021-02-04 , DOI: 10.1021/acscatal.0c04739
Xingchen Liu _{1,

2} , Jinjia Liu _{1,

2} , Yong Yang _{1,

2,

3} , Yong-Wang Li _{1,

2,

3} , Xiaodong Wen _{1,

2,

3}

Affiliation

At present, the catalytic conversion of carbon-containing resources remains a major challenge faced during the economic growth and energy mix adjustment around the world. The development of catalysts with high efficiency for the conversion of carbon-containing resources is one of the major solutions to the energy and environmental problems. During these conversion processes, carbon plays an essential role in the sense that it is not only the key element in the reactions but may also cause the modification of the chemical nature of the catalysts. Notably, comprehension of the structure–performance relationship of catalytic materials is the basis for catalyst development. In particular, the modulating role of carbon on the catalyst structures during the conversion of carbon-containing resources has attracted increasing attention. In the past five years, we have systematically studied the modulation of Fe-, Co-, Ni-, and Mo-based catalysts by carbon using theoretical approaches. In this review, with a focus on the active phases, morphologies, surface structures, electronic properties, and catalytic performances of transition-metal catalysts (Fe, Co, Ni, Mo, and other transition metals), the modulation of these catalysts by carbon will be summarized to shed light on the question of how to tune the behavior of carbon in terms of catalyst carburization and carbon-related surface reactions. This review provides systematic and fundamental information for the further design and development of catalysts for the conversion of carbon-containing resources.

中文翻译：

过渡金属催化剂上含碳资源转化中碳调制的理论观点

当前，含碳资源的催化转化仍然是世界范围内经济增长和能源结构调整过程中面临的主要挑战。开发用于转化含碳资源的高效催化剂是解决能源和环境问题的主要解决方案之一。在这些转化过程中，碳起着至关重要的作用，因为碳不仅是反应中的关键元素，而且还可能导致催化剂化学性质的改变。值得注意的是，对催化材料的结构-性能关系的理解是催化剂开发的基础。特别地，在含碳资源的转化过程中碳对催化剂结构的调节作用已引起越来越多的关注。在过去的五年中，我们已经使用理论方法系统地研究了碳对铁，钴，镍和钼基催化剂的调节作用。在这篇综述中，着重于过渡金属催化剂（Fe，Co，Ni，Mo和其他过渡金属）的活性相，形态，表面结构，电子性能和催化性能，这些催化剂对碳的调节本文将进行概述，以阐明如何根据催化剂的渗碳和与碳有关的表面反应来调节碳的行为。该综述为进一步设计和开发用于转化含碳资源的催化剂提供了系统和基本的信息。在这篇综述中，着重于过渡金属催化剂（Fe，Co，Ni，Mo和其他过渡金属）的活性相，形态，表面结构，电子性质和催化性能，这些催化剂对碳的调节本文将进行概述，以阐明如何根据催化剂的渗碳和与碳有关的表面反应来调节碳的行为。该综述为进一步设计和开发用于转化含碳资源的催化剂提供了系统和基本的信息。在这篇综述中，着重于过渡金属催化剂（Fe，Co，Ni，Mo和其他过渡金属）的活性相，形态，表面结构，电子性能和催化性能，这些催化剂对碳的调节本文将进行概述，以阐明如何根据催化剂的渗碳和与碳有关的表面反应来调节碳的行为。该综述为进一步设计和开发用于转化含碳资源的催化剂提供了系统和基本的信息。总结碳对这些催化剂的调节作用，以阐明如何根据催化剂的渗碳和与碳有关的表面反应来调节碳的行为。该综述为进一步设计和开发用于转化含碳资源的催化剂提供了系统和基本的信息。总结碳对这些催化剂的调节作用，以阐明如何根据催化剂的渗碳和与碳有关的表面反应来调节碳的行为。该综述为进一步设计和开发用于转化含碳资源的催化剂提供了系统和基本的信息。

更新日期：2021-02-19

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