Toward Sustainable Ultrawide Bandgap van der Waals Materials: An ab initio Screening Effort
Source abstract
Abstract
Abstract The sustainable development of next‐generation device technology is paramount in the face of climate change and the looming energy crisis. Tremendous effort is made in the discovery and design of nanomaterials that achieve device‐level sustainability, where high performance and low operational energy cost are prioritized. However, many of such materials are composed of elements that are under threat of depletion and pose elevated risks to the environment and human health. The role of materials‐level sustainability in computational screening efforts is overlooked thus far. This work presents a general van der Waals materials screening framework imbued with sustainability‐motivated search criteria. Using ultrawide bandgap (UWBG) materials as a backdrop, 25 sustainable UWBG layered materials comprising only of low‐risks elements result from this screening effort, with several meeting the requirements for dielectric, power electronics, and ultraviolet device applications. These findings constitute a critical first‐step toward reinventing a more sustainable electronics landscape beyond silicon, with the framework established in this work serving as a harbinger of sustainable 2D materials discovery.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Graphene research and applications · MXene and MAX Phase Materials · 2D Materials and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Science, Mathematics and Technology (SMT) Cluster Singapore University of Technology and Design 8 Somapah Rd Singapore 487372 Singapore
John A.Paulson School of Engineering and Applied Sciences Harvard University Cambridge Massachusetts 02138 United States
State Key Laboratory of Mesoscopic Physics and Department of Physics Peking University Beijing 100871 P. R. China
Multidisciplinary Platform of Advanced Engineering, Department of Chemical Engineering, School of Engineering Monash University Malaysia Jalan Lagoon Selatan Bandar Sunway Selangor 47500 Malaysia
Robert Bosch LLC Research and Technology Center Watertown Massachusetts 02472 United States
Engineering Product Development (EPD) Singapore University of Technology and Design 8 Somapah Rd Singapore 487372 Singapore
Collaborative Innovation Center of Quantum Matter Beijing 100871 P. R. China
Beijing Key Laboratory for Magnetoelectric Materials and Devices Beijing 100871 P. R. China
Peking University Yangtze Delta Institute of Optoelectronics Nantong 226000 P. R. China
Key Laboratory for the Physics and Chemistry of Nanodevices Peking University Beijing 100871 P. R. China
Funding
China Scholarship Council · Fundamental Research Funds for the Central Universities · Singapore University of Technology and Design · National Natural Science Foundation of China
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