Phosphine Modulation for Enhanced CO 2 Capture: Quantum Mechanics Predictions of New Materials

Musgrave III, Charles B.; Prokofjevs, Aleksandrs; Goddard III, William A.

doi:10.1021/acs.jpclett.2c03145

Phosphine Modulation for Enhanced CO ₂ Capture: Quantum Mechanics Predictions of New Materials

Journal Article · 29 November 2022 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.2c03145· OSTI ID:2421860

^[1]; Prokofjevs, Aleksandrs ^[2]; ^[3]

Materials and Process Simulation Center, California Institute of Technology, Pasadena, California91125, United States; OSTI
Department of Chemistry, North Carolina Agricultural and Technical State University, Greensboro, North Carolina27411, United States
Materials and Process Simulation Center, California Institute of Technology, Pasadena, California91125, United States

Not provided.

Research Organization:: California Institute of Technology (CalTech), Pasadena, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0021266

OSTI ID:: 2421860

Journal Information:: Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 48 Vol. 13; ISSN 1948-7185

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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