S. Mason

发表

DFT and thermodynamics calculations of surface cation release in LiCoO2

R. Hamers, E. Laudadio, S. Mason, 2019, Applied Surface Science.

First-Principles and Thermodynamics Study of Compositionally Tuned Complex Metal Oxides: Cation Release from the (001) Surface of Mn-Rich Lithium Nickel Manganese Cobalt Oxide.

R. Hamers, J. Bennett, Diamond T. Jones, 2018, Inorganic chemistry.

Sustainable Nanotechnology: Opportunities and Challenges for Theoretical/Computational Studies.

Rigoberto Hernandez, Thomas Frauenheim, Qiang Cui, 2016, The journal of physical chemistry. B.

Adsorption of small organic acids and polyphenols on hematite surfaces: Density Functional Theory + thermodynamics analysis.

Ali Abbaspour Tamijani, S. Mason, Hind A. Al-Abadleh, 2021, Journal of colloid and interface science.

First-principles extrapolation method for accurate CO adsorption energies on metal surfaces

A. Rappe, S. Mason, I. Grinberg, 2003, cond-mat/0310688.

DFT-GGA errors in NO chemisorption energies on (111) transition metal surfaces: Possible origins and correction schemes

S. Mason, Xu Huang, S. Mason, 2013, 1307.1644.

Orbital-Specific Analysis of CO Chemisorption on Transition-Metal Surfaces

A. Rappe, S. Mason, I. Grinberg, 2008 .

Spontaneous formation of dipolar metal nanoclusters.

A. Rappe, S. Mason, V. Cooper, 2006, The journal of physical chemistry. A.

Fundamental insights about environmental interface reactivity from DFT calculations of geochemical model systems

Sai Kumar Ramadugu, K. W. Corum, S. Mason, 2015 .

Quantum mechanical studies of interactions in model catalytic surfaces

S. Mason, S. Mason, S. Mason, 2007 .

Molecular Surface Functionalization of Carbon Materials via Radical-Induced Grafting of Terminal Alkenes.

R. Hamers, C. Haynes, Bo Zhi, 2019, Journal of the American Chemical Society.

Ab Initio Atomistic Thermodynamics Study of the (001) Surface of LiCoO2 in a Water Environment and Implications for Reactivity under Ambient Conditions

R. Hamers, Joseph W. Bennett, E. Laudadio, 2017 .

Efficient Conversion of CO2 to Formate Using Inexpensive and Easily Prepared Post-Transition Metal Alloy Catalysts

S. Mason, S. Shaw, A. A. Tamijani, 2020, Energy & Fuels.

Reciprocal redox interactions of lithium cobalt oxide nanoparticles with nicotinamide adenine dinucleotide (NADH) and glutathione (GSH): toward a mechanistic understanding of nanoparticle-biological interactions

R. Hamers, K. Hoang, Z. V. Feng, 2021 .

Density Functional Theory Study of Arsenate Adsorption onto Alumina Surfaces

A. A. Tamijani, S. Mason, Katie W. Corum, 2018 .

Characterization of Phosphate and Arsenate Adsorption onto Keggin-Type Al30 Cations by Experimental and Theoretical Methods.

Maurice K. Payne, S. Mason, D. Unruh, 2015, Inorganic chemistry.

DFT + Thermodynamics of Inner-Sphere Oxyanion Adsorption on the Hydroxylated α-Al2O3(001) Surface.

J. Catalano, S. Mason, A. A. Tamijani, 2020, Langmuir : the ACS journal of surfaces and colloids.

Systematic Study of Aluminum Nanoclusters and Anion Adsorbates.

S. Mason, T. Forbes, J. Bennett, 2017, Inorganic chemistry.

Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations.

R. Hamers, Q. Cui, Joseph W. Bennett, 2018, Physical chemistry chemical physics : PCCP.

Metal Release Mechanism and Electrochemical Properties of Lix(Ni1/3Mn1/3Co1/3)O2

Blake G. Hudson, S. Mason, S. Mason, 2022, Applied Sciences.

Linking Solid-State Reduction Mechanisms to Size-Dependent Reactivity of Metal Oxide Oxygen Carriers for Chemical Looping Combustion

David M. Cwiertny, Blake G. Hudson, S. Mason, 2021 .

Advanced material modulation of nutritional and phytohormone status alleviates damage from soybean sudden death syndrome

R. Hamers, Blake G. Hudson, S. Mason, 2020, Nature Nanotechnology.

Emerging investigator series: first-principles and thermodynamics comparison of compositionally-tuned delafossites: cation release from the (001) surface of complex metal oxides

R. Hamers, Blake G. Hudson, J. Bennett, 2020, Environmental Science: Nano.

Nickel enrichment of next-generation NMC nanomaterials alters material stability, causing unexpected dissolution behavior and observed toxicity to S. oneidensis MR-1 and D. magna

Joseph T. Buchman, R. Hamers, C. Haynes, 2020 .

A systematic determination of hubbard U using the GBRV ultrasoft pseudopotential set

Q. Cui, Blake G. Hudson, S. Mason, 2019 .

First-Principles Characterization and Comparison of Clean, Hydrated, and Defect α-Al2O3 (110) Surfaces

J. Catalano, Ali Abbaspour Tamijani, S. Mason, 2019 .

DFT Computed Dielectric Response and THz Spectra of Organic Co-Crystals and Their Constituent Components

M. Arnold, S. Mason, L. MacGillivray, 2019, Molecules.

Dissolution of Complex Metal Oxides from First-Principles and Thermodynamics: Cation Removal from the (001) Surface of Li(Ni1/3Mn1/3Co1/3)O2.

R. Hamers, S. Mason, Xu Huang, 2018, Environmental science & technology.

Surface-Specific DFT + U Approach Applied to α-Fe2O3(0001)

Sai Kumar Ramadugu, S. Mason, Xu Huang, 2016 .

First-principles characterisation and comparison of clean, hydrated, and defect α-Al2O3 and α-Fe2O3 (110) surfaces

J. Catalano, Ali Abbaspour Tamijani, S. Mason, 2021, Molecular Simulation.

Impact of Phosphate Adsorption on Complex Cobalt Oxide Nanoparticle Dispersibility in Aqueous Media.

R. Hamers, Curtis M. Green, E. Laudadio, 2018, Environmental science & technology.

Relating fundamental chemistry and smart materials with DFT calculations

A. Rappe, N. Sai, S. Mason, 2003, 2003 User Group Conference. Proceedings.

Formation of the [Ge4O16Al48(OH)108(H2O)24]20+ Tetramer from Condensation of ε-GeAl12 Keggin Polycations

S. Mason, T. Forbes, Jennifer L. Bjorklund, 2020 .

Influence of nickel manganese cobalt oxide nanoparticle composition on toxicity toward Shewanella oneidensis MR-1: redesigning for reduced biological impact

Joseph T. Buchman, R. Hamers, C. Haynes, 2017 .

The Effect of Thin-Ideal Media on Body Image:An Experiment Using the Solomon Four-Group Design

S. Mason, S. Mason, S. Mason, 2012 .

Methane Dissociation on α-Fe2O3(0001) and Fe3O4(111) Surfaces: First-Principles Insights into Chemical Looping Combustion

David M. Cwiertny, Yuan Fang, S. Mason, 2019, The Journal of Physical Chemistry C.

Comparative DFT study of inner-sphere As(III) complexes on hydrated α-Fe2O3(0001) surface models.

S. Mason, Christoffer J. Goffinet, S. Mason, 2012, Journal of environmental monitoring : JEM.

Periodic Density Functional Theory Calculations of Uranyl Tetrachloride Compounds Engaged in Uranyl–Cation and Uranyl–Hydrogen Interactions: Electronic Structure, Vibrational, and Thermodynamic Analyses

S. Mason, T. Forbes, L. Augustine, 2022, Inorganic chemistry.

Molecular-level understanding of environmental interfaces using density functional theory modeling

A. Chaka, S. Mason, C. Iceman, 2010 .

DFT study of Sb(III) and Sb(V) adsorption and heterogeneous oxidation on hydrated oxide surfaces

S. Mason, T. Trainor, Christoffer J. Goffinet, 2012 .

Establishing trends in ion adsorption on the aqueous aluminium hydroxide nanoparticle Al30

S. Mason, K. W. Corum, S. Mason, 2015 .

Using density functional theory to study shape-reactivity relationships in Keggin Al-nanoclusters.

S. Mason, K. W. Corum, S. Mason, 2016, Water research.

Determination of Shape-Reactivity Relationships in Al- Nanoclusters

S. Mason, Jennifer L. Bjorklund, K. W. Corum, 2016 .

Contaminant adsorption on nanoscale particles: structural and theoretical characterization of Cu2+ bonding on the surface of Keggin-type polyaluminum (Al30) molecular species.

T. Forbes, S. Abeysinghe, Diane Neff, 2013, Langmuir : the ACS journal of surfaces and colloids.