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High-Throughput Calculation of Interlayer van der Waals Forces Validated with Experimental Measurements 被引量:3

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摘要 Interlayer van der Waals interactions play an important role in two-dimensional(2D)materials on various occasions.The interlayer binding force is often directly measured and is considered more closely related to the exfoliation condition.However,a binding force database from accurate theoretical calculations does not yet exist.In this work,the critical interlayer binding force and energy are directly calculated for 2302D materials,which exhibit divergent trends.A linear relationship that links the two quantities with the equilibrium interlayer distance is found and checked.Experiments are carried out for three different materials using atomic force microscopy.The measured forces show a consistent trend with the calculated results,and the estimated binding strengths are of the same order of magnitude as the predicted values.Our work can provide a reliable reference for interlayer adhesion studies and help establish accurate models of exfoliation processes.
出处 《Research》 EI CAS CSCD 2022年第3期225-235,共11页 研究(英文)
基金 the National Natural Science Foundation of China(Grant No.52072308) the Fundamental Research Funds for the Central Universities(Grant Nos.3102021MS0404 and 3102019JC001) Open Testing Foundation of the Analytical&Testing Center of Northwestern Polytechnical University。
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