Evaluating the Role of Metastable Surfaces in Mechanochemical Reduction of Molybdenum Oxide

Yu, Neung-Kyung; Rasteiro, Letícia F.; Nguyen, Van Son; Gołąbek, Kinga M.; Sievers, Carsten; Medford, Andrew J.

doi:10.1021/jacsau.4c00758

Title: Evaluating the Role of Metastable Surfaces in Mechanochemical Reduction of Molybdenum Oxide

Journal Article · 18 November 2024 · JACS Au

DOI: https://doi.org/10.1021/jacsau.4c00758 · OSTI ID:2478033

Yu, Neung-Kyung ^[1]; Rasteiro, Letícia F. ^[1]; Nguyen, Van Son ^[1];

^[1]; Sievers, Carsten ^[1];

^[1]

School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0016486

OSTI ID:: 2478033

Journal Information:: JACS Au, Journal Name: JACS Au Journal Issue: 1 Vol. 5; ISSN 2691-3704

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (49)

Lithiated MoO3 Nanobelts with Greatly Improved Performance for Lithium Batteries Mai, L. Q.; Hu, B.; Chen, W. Advanced Materials, Vol. 19, Issue 21 https://doi.org/10.1002/adma.200700883	journal	November 2007
An Orders-of-Magnitude Increase in the Rate of the Solid-Catalyzed CO Oxidation by In Situ Ball Milling Immohr, Sarah; Felderhoff, Michael; Weidenthaler, Claudia Angewandte Chemie International Edition, Vol. 52, Issue 48 https://doi.org/10.1002/anie.201305992	journal	September 2013
Preferential Carbon Monoxide Oxidation over Copper‐Based Catalysts under In Situ Ball Milling Eckert, Rene; Felderhoff, Michael; Schüth, Ferdi Angewandte Chemie International Edition, Vol. 56, Issue 9 https://doi.org/10.1002/anie.201610501	journal	January 2017
Insights into Mechanochemical Reactions at Targetable and Stable, Sub‐ambient Temperatures Andersen, Joel; Mack, James Angewandte Chemie International Edition, Vol. 57, Issue 40 https://doi.org/10.1002/anie.201805263	journal	September 2018
Time‐Resolved In Situ Monitoring of Mechanochemical Reactions Michalchuk, Adam A. L.; Emmerling, Franziska Angewandte Chemie International Edition, Vol. 61, Issue 21 https://doi.org/10.1002/anie.202117270	journal	April 2022
Understanding Ball Milling Mechanochemical Processes with DFT Calculations and Microkinetic Modeling Pladevall, Bruna S.; de Aguirre, Adiran; Maseras, Feliu ChemSusChem, Vol. 14, Issue 13 https://doi.org/10.1002/cssc.202100497	journal	June 2021
Nitrogen-doped graphene catalysts: High energy wet ball milling synthesis and characterizations of functional groups and particle size variation with time and speed Zhuang, Shiqiang; Nunna, Bharath Babu; Boscoboinik, Jorge Anibal International Journal of Energy Research, Vol. 41, Issue 15 https://doi.org/10.1002/er.3821	journal	July 2017
Molecular dynamics simulations of the structure and mechanical properties of silica glass using ReaxFF Chowdhury, Sanjib C.; Haque, Bazle Z.; Gillespie, John W. Journal of Materials Science, Vol. 51, Issue 22 https://doi.org/10.1007/s10853-016-0242-8	journal	July 2016
Effect of Milling on Particle Shape and Surface Energy Heterogeneity of Needle-Shaped Crystals Ho, Raimundo; Naderi, Majid; Heng, Jerry Y. Y. Pharmaceutical Research, Vol. 29, Issue 10 https://doi.org/10.1007/s11095-012-0842-1	journal	August 2012
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Self-sustaining reactions induced by ball milling Takacs, Laszlo Progress in Materials Science, Vol. 47, Issue 4 https://doi.org/10.1016/S0079-6425(01)00002-0	journal	January 2002
The energy efficiency of ball milling in comminution Fuerstenau, D. W.; Abouzeid, A. -Z. M. International Journal of Mineral Processing, Vol. 67, Issue 1-4 https://doi.org/10.1016/S0301-7516(02)00039-X	journal	November 2002
Hot spot generation, reactivity, and decay in mechanochemical reactors Tricker, Andrew W.; Samaras, George; Hebisch, Karoline L. Chemical Engineering Journal, Vol. 382 https://doi.org/10.1016/j.cej.2019.122954	journal	February 2020
Deformation behavior of diamond-like phases: Molecular dynamics simulation Baimova, J. А.; Rysaeva, L. Kh.; Rudskoy, A. I. Diamond and Related Materials, Vol. 81 https://doi.org/10.1016/j.diamond.2017.12.001	journal	January 2018
Mechanochemical bromination of unburned carbon in fly ash and its mercury removal mechanism: DFT study Geng, Xinze; Liu, Xiaoshuo; Ding, Xunlei Journal of Hazardous Materials, Vol. 423 https://doi.org/10.1016/j.jhazmat.2021.127198	journal	February 2022
The energy distribution theory of comminution specific surface energy, mill efficiency and distribution mode Stamboliadis, Elias Th. Minerals Engineering, Vol. 20, Issue 2 https://doi.org/10.1016/j.mineng.2006.07.009	journal	February 2007
Analysis on energy transfer during mechanical coating and ball milling—Supported by electric power measurement in planetary ball mill Hao, Liang; Lu, Yun; Sato, Hiromasa International Journal of Mineral Processing, Vol. 121 https://doi.org/10.1016/j.minpro.2013.03.003	journal	June 2013
Evolution of grinding energy and particle size during dry ball-milling of silica sand Blanc, Nicolas; Mayer-Laigle, Claire; Frank, Xavier Powder Technology, Vol. 376 https://doi.org/10.1016/j.powtec.2020.08.048	journal	October 2020
Advances in Quantum Mechanochemistry: Electronic Structure Methods and Force Analysis Stauch, Tim; Dreuw, Andreas Chemical Reviews, Vol. 116, Issue 22 https://doi.org/10.1021/acs.chemrev.6b00458	journal	October 2016
Assessing Exchange-Correlation Functionals for Heterogeneous Catalysis of Nitrogen Species Kim, Honghui; Yu, Neung-Kyung; Tian, Nianhan The Journal of Physical Chemistry C, Vol. 128, Issue 27 https://doi.org/10.1021/acs.jpcc.4c01497	journal	July 2024
Real-Time and In Situ Monitoring of Mechanochemical Reactions: A New Playground for All Chemists Užarević, Krunoslav; Halasz, Ivan; Friščić, Tomislav The Journal of Physical Chemistry Letters, Vol. 6, Issue 20 https://doi.org/10.1021/acs.jpclett.5b01837	journal	September 2015
Polyelectrolyte-Assisted Oxygen Vacancies: A New Route to Defect Engineering in Molybdenum Oxide Yazdani, Sajad; Kashfi-Sadabad, Raana; Huan, Tran Doan Langmuir, Vol. 34, Issue 21 https://doi.org/10.1021/acs.langmuir.8b00539	journal	May 2018
Pretreatment Effects on the Surface Chemistry of Small Oxygenates on Molybdenum Trioxide Najmi, Sean; Rasmussen, Mathew; Innocenti, Giada ACS Catalysis, Vol. 10, Issue 15 https://doi.org/10.1021/acscatal.0c01992	journal	June 2020
Beyond Ordered Materials: Understanding Catalytic Sites on Amorphous Solids Goldsmith, Bryan R.; Peters, Baron; Johnson, J. Karl ACS Catalysis, Vol. 7, Issue 11 https://doi.org/10.1021/acscatal.7b01767	journal	October 2017
Mechanocatalytic Ammonia Synthesis over TiN in Transient Microenvironments Tricker, Andrew W.; Hebisch, Karoline L.; Buchmann, Marco ACS Energy Letters, Vol. 5, Issue 11 https://doi.org/10.1021/acsenergylett.0c01895	journal	October 2020
Thermal reduction of molybdenum trioxide Spevack, P. A.; McIntyre, N. S. The Journal of Physical Chemistry, Vol. 96, Issue 22 https://doi.org/10.1021/j100201a062	journal	October 1992
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode Nørskov, J. K.; Rossmeisl, J.; Logadottir, A. The Journal of Physical Chemistry B, Vol. 108, Issue 46 https://doi.org/10.1021/jp047349j	journal	November 2004
Mechanochemistry: The Effect of Dynamics Smalø, Hans S.; Rybkin, Vladimir V.; Klopper, Wim The Journal of Physical Chemistry A, Vol. 118, Issue 36 https://doi.org/10.1021/jp504959z	journal	August 2014
Mechanochemistry for ammonia synthesis under mild conditions Han, Gao-Feng; Li, Feng; Chen, Zhi-Wen Nature Nanotechnology, Vol. 16, Issue 3 https://doi.org/10.1038/s41565-020-00809-9	journal	December 2020
Shear-activation of mechanochemical reactions through molecular deformation Bhuiyan, Fakhrul H.; Li, Yu-Sheng; Kim, Seong H. Scientific Reports, Vol. 14, Issue 1 https://doi.org/10.1038/s41598-024-53254-2	journal	February 2024
In-plane anisotropic optical and mechanical properties of two-dimensional MoO3 Puebla, Sergio; D’Agosta, Roberto; Sanchez-Santolino, Gabriel npj 2D Materials and Applications, Vol. 5, Issue 1 https://doi.org/10.1038/s41699-021-00220-5	journal	April 2021
Implementing the mechanical force into the conceptual DFT framework: understanding and predicting molecular mechanochemical properties Bettens, Tom; Alonso, Mercedes; Geerlings, Paul Physical Chemistry Chemical Physics, Vol. 21, Issue 14 https://doi.org/10.1039/C8CP07349J	journal	January 2019
A guide to direct mechanocatalysis Hwang, Suhmi; Grätz, Sven; Borchardt, Lars Chemical Communications, Vol. 58, Issue 11 https://doi.org/10.1039/D1CC05697B	journal	January 2022
Structural evolution of TiN catalysts during mechanocatalytic ammonia synthesis DeWitt, Jacob A.; Phillips, Erin V.; Hebisch, Karoline L. Faraday Discussions, Vol. 243 https://doi.org/10.1039/D2FD00164K	journal	January 2023
Wandering through quantum-mechanochemistry: from concepts to reactivity and switches Alonso, Mercedes; Bettens, Tom; Eeckhoudt, Jochen Physical Chemistry Chemical Physics, Vol. 26, Issue 1 https://doi.org/10.1039/D3CP04907H	journal	January 2024
Kinetics of primary mechanochemical covalent-bond-forming reactions Zholdassov, Yerzhan S.; Kwok, Ryan W.; Shlain, Milan A. RSC Mechanochemistry, Vol. 1, Issue 1 https://doi.org/10.1039/D3MR00018D	journal	January 2024
Hallmarks of mechanochemistry: from nanoparticles to technology Baláž, Peter; Achimovičová, Marcela; Baláž, Matej Chemical Society Reviews, Vol. 42, Issue 18 https://doi.org/10.1039/c3cs35468g	journal	January 2013
Sono- and mechanochemical technologies in the catalytic conversion of biomass Calcio Gaudino, Emanuela; Cravotto, Giancarlo; Manzoli, Maela Chemical Society Reviews, Vol. 50, Issue 3 https://doi.org/10.1039/d0cs01152e	journal	January 2021
Problems in mechanochemistry and prospects for its development Butyagin, Pavel Yu Russian Chemical Reviews, Vol. 63, Issue 12 https://doi.org/10.1070/RC1994v063n12ABEH000129	journal	December 1994
Electron characterization in weakly ionized collisional plasmas: from principles to techniques Park, Sanghoo; Choe, Wonho; Moon, Se Youn Advances in Physics: X, Vol. 4, Issue 1 https://doi.org/10.1080/23746149.2018.1526114	journal	October 2018
Atmospheric pressure discharge filaments and microplasmas: physics, chemistry and diagnostics Bruggeman, Peter; Brandenburg, Ronny Journal of Physics D: Applied Physics, Vol. 46, Issue 46 https://doi.org/10.1088/0022-3727/46/46/464001	journal	October 2013
The atomic simulation environment—a Python library for working with atoms Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob Journal of Physics: Condensed Matter, Vol. 29, Issue 27 https://doi.org/10.1088/1361-648X/aa680e	journal	June 2017
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
van der Waals density functional made accurate Hamada, Ikutaro Physical Review B, Vol. 89, Issue 12 https://doi.org/10.1103/PhysRevB.89.121103	journal	March 2014
Van der Waals Density Functional for General Geometries Dion, M.; Rydberg, H.; Schröder, E. Physical Review Letters, Vol. 92, Issue 24 https://doi.org/10.1103/PhysRevLett.92.246401	journal	June 2004
Relation Between Strength, Fracture Energy, and Microstructure of Hot-Pressed Si3N4 Lange, F. F. Journal of the American Ceramic Society, Vol. 56, Issue 10 https://doi.org/10.1111/j.1151-2916.1973.tb12401.x	journal	October 1973
A push for mechanochemistry Weiss, Paul S. Science, Vol. 380, Issue 6649 https://doi.org/10.1126/science.adi3388	journal	June 2023

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