Pressure Sensitivity of UiO-66 Framework with Encapsulated Spin Probe: A Molecular Dynamics Study DOI Creative Commons

Dmitry V. Alimov,

Artem S. Poryvaev, Matvey V. Fedin

и другие.

Molecules, Год журнала: 2025, Номер 30(10), С. 2247 - 2247

Опубликована: Май 21, 2025

Probes sensitive to mechanical stress are in high demand for analyzing pressure distributions materials. Metal–organic frameworks (MOFs) especially promising designing sensors due their structural tunability. In this work, using classical molecular dynamics (MD) simulations, we clarified the mechanism of exceptional sensitivity material based on UiO-66 framework with a trace amount spin probes encapsulated cavities. The role defects MOF structure has been revealed combination electron paramagnetic resonance (EPR) spectroscopy and MD calculations, potential degradation pathways under have proposed. combined EPR study provides valuable insights further development new MOF-based applicable non-destructive mapping various

Язык: Английский

Harnessing Sustainable Biochar-based Composites for Effective PFAS Removal from Wastewater DOI
Abhishek Kumar, Wasim Akram Shaikh,

Hakim Mudassir Maqsood

и другие.

Current Opinion in Environmental Science & Health, Год журнала: 2025, Номер unknown, С. 100594 - 100594

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

1
Risk-Based Chemical Contaminant Framework to Comply with the EU Nonpotable Reuse Regulation DOI

Javad Ahmadi,

Uwe Hübner, Benedikt M. Aumeier

и другие.

ACS ES&T Water, Год журнала: 2025, Номер unknown

Опубликована: Апрель 7, 2025

Язык: Английский

Процитировано

0
Synergy of adsorption and photo catalysis in UiO-66/g-C3N4 Z-scheme photo catalyst for micropollutants DMP removal: performance, mechanisms, and LCA DOI

Huiping Jia,

Yumeng Yang,

Yimai Zhang

и другие.

Separation and Purification Technology, Год журнала: 2025, Номер unknown, С. 133119 - 133119

Опубликована: Апрель 1, 2025

Язык: Английский

Процитировано

0
Enhanced CO2 capture onto in situ MOF growth on aminyl-incorporated activated carbon DOI
Yongjia Zhang, Md. Amirul Islam, Wei Zhao

и другие.

International Communications in Heat and Mass Transfer, Год журнала: 2025, Номер 165, С. 109010 - 109010

Опубликована: Май 5, 2025

Язык: Английский

Процитировано

0
Dual-Functional Metal Organic Frameworks for Adsorptive Removal and Ultra-Trace Quantitation of 50 Per- and Polyfluoroalkyl Substances in Water DOI Creative Commons
Lisa Hua, Marcello B. Solomon,

M. D'Alessandro Deanna

и другие.

Journal of Hazardous Materials, Год журнала: 2025, Номер unknown, С. 138679 - 138679

Опубликована: Май 1, 2025

Язык: Английский

Процитировано

0
Pressure Sensitivity of UiO-66 Framework with Encapsulated Spin Probe: A Molecular Dynamics Study DOI Creative Commons

Dmitry V. Alimov,

Artem S. Poryvaev, Matvey V. Fedin

и другие.

Molecules, Год журнала: 2025, Номер 30(10), С. 2247 - 2247

Опубликована: Май 21, 2025

Probes sensitive to mechanical stress are in high demand for analyzing pressure distributions materials. Metal–organic frameworks (MOFs) especially promising designing sensors due their structural tunability. In this work, using classical molecular dynamics (MD) simulations, we clarified the mechanism of exceptional sensitivity material based on UiO-66 framework with a trace amount spin probes encapsulated cavities. The role defects MOF structure has been revealed combination electron paramagnetic resonance (EPR) spectroscopy and MD calculations, potential degradation pathways under have proposed. combined EPR study provides valuable insights further development new MOF-based applicable non-destructive mapping various

Язык: Английский

Процитировано

0