Work

13C and 35Cl NMR Crystallography of Chlorine-Terminated MXenes

Year: 2026

Type: dataset

Abstract: Raw data for the 13C and 35Cl NMR Crystallography of Chlorine-Terminated MXenes. (Ti3C2Cl2, Ti2CCl2, NbCCl2, and Zr2CCl2)This dataset contains the raw SSNMR data, DFT calculation outputs, DFT-relaxed MXene structures, and INTERFACES input and output files.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.22090314

Authors: Karapitiye Pathiranage, Akila M. S., Shawon, Abu Rashed Md., Kim, Young-Hwan, Yang, Yinan, Yunusa, Lukman, Mason, Noah L., Jiang, De-en, Perras, Frédéric A., Talapin, Dmitri V., Rossini, Aaron J.

Institutions: Iowa State University, Ames National Laboratory, University of Chicago, Vanderbilt University, Argonne National Laboratory

Language: English

Topic: MXene and MAX Phase Materials

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7204164570

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