Unraveling the Electronic Mechanisms of Metavalent Bonding in Group IV Chalcogenides for Energy Harvesting and Power Generation: A Groundbreaking Study
Researchers have discovered important information about a new type of materials that can be used for energy harvesting and power generation. A recent study has revealed how the electronic processes work in the chemical bonding of these materials, known as incipient metals with metavalent bonding (MVB), which are found in a single 2D layer of Group IV chalcogenides. This new understanding can potentially enhance energy harvesting and power generation technologies.
Exploring novel materials with distinctive characteristics can play a crucial role in the progression of existing technology. Currently, researchers are investigating a category of substances known as group IV chalcogenides, which possess interesting properties that make them promising for various technological uses. These compounds consist of an element from group VI of the periodic table paired with an element from group III–V, such as PbTe, SnTe, and GeTe.
Chalcogenides have the ability to switch back and forth between disordered and ordered phases when exposed to different temperature, pressure, or electric fields. This special feature is useful in rewritable optical discs and electronic memory devices because the two phases have different optical properties. Moreover, chalcogenides are important in energy harvesting and power generation applications due to their strong electrical conductivity and efficient conversion of heat energy into electrical energy using the thermoelectric effect.
A study conducted by Professor Umesh Waghmare from the Theoretical Sciences Unit at Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR) in Bengaluru looked at the potential for using metavalent bonding (MVB) in a single layer of Group IV chalcogenides. The study examined how MVB works and how it affects the properties of the materials. JNCASR is an independent institution under the Department of Science & Technology, Government of India.
A research paper, printed in Angewandte Chemie International Edition and backed by the J. C. Bose National Fellowship from the SERB-DST, Government of India, and JNCASR research fellowship, offers a detailed theoretical examination of the bonding characteristics in five various 2D structures of Group IV chalcogenides. These substances have unique qualities, changing from a disordered amorphous state to a structured form within a short period of time when exposed to temperature changes.
Inspired by a suggestion from Professor C. N. R. Rao, the research project focused on understanding how the electronic processes influence chemical bonding in certain materials. After almost two years of using theory and computer simulations, the results have revealed new insights into the special characteristics of these materials, questioning traditional concepts of chemical bonding.
Professor Waghmare explains that these materials, known as incipient metals, have a unique combination of properties that go beyond traditional explanations. They have electrical conductivity like metals, thermoelectric efficiency like semiconductors, and low thermal conductivity that cannot be understood through traditional chemical bonding theories.
This research introduces a new type of chemical bonding called metavalent bonding, proposed by Matthias Wuttig in 2018. This bonding concept combines characteristics of metallic and covalent bonding, providing a new understanding of the mysterious properties of these materials.
Prof. Waghmare and his team's research has important implications and potential practical uses in various industries. The study focuses on chalcogenides, which are currently used in computer flash memories due to their ability to change optical properties when transitioning from crystalline to amorphous states. Furthermore, these materials could also be utilized in energy storage, particularly as phase change materials, to create more sustainable and effective energy solutions.
Additionally, this study is related to the growing area of quantum materials and supports India's national mission on quantum technology. Quantum materials have unique electronic structures and characteristics, making them a key element in the development of quantum technologies.
This study, which was divided into two papers, one discussing three-dimensional materials and the other focusing on metavalent bonding in two-dimensional materials, marks a notable advancement in the comprehension of quantum materials' chemistry. Professor Waghmare highlights the significance of these discoveries by stating that traditional chemical bonding theories do not fully account for the distinct properties of these materials. The research has revealed new insights into the chemistry of quantum materials, providing opportunities for further exploration.
Link to the publication: https://onlinelibrary.wiley.com/doi/10.1002/anie.202313852
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