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Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

Jin Soo Lim, Jonathan Vandermause, Matthijs A. van Spronsen, Albert Musaelian, Yu Xie, Lixin Sun, Christopher R. O’Connor, Tobias Egle, Nicola Molinari, Jacob Florian, Kaining Duanmu, Robert J. Madix, Philippe Sautet, Cynthia M. Friend, Boris Kozinsky

Version 4 posted 16 June 2020

1,782

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Theoretical and Computational Chemistry

Working Paper

Stable Surfaces that Bind too Tightly: Can Range Separated Hybrids or DFT+U Improve Paradoxical Descriptions of Surface Chemistry?

Qing Zhao, Heather Kulik

Version 1 posted 06 June 2019

541

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Physical Chemistry

Working Paper

Effective Removal of Water-Soluble Methylated Arsenic Contaminants with Phosphorene Oxide Nanoflakes: A DFT Study

Kerry Wrighton-Araneda, Daniela E. Ortega, Diego Cortes-Arriagada

Version 1 posted 11 June 2021

339

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Physical Chemistry

Working Paper

Circuit Analysis of Ionizing Surface Potential Measurements of Electrolyte Solutions

Tehseen Adel, Juan Velez-Alvarez, Anne C. Co, Heather Allen

Version 1 posted 25 September 2020

310

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Nanoscience

Working Paper

A metastable brominated nanodiamond surface enables room temperature and catalysis-free amine chemistry

Cynthia Melendrez, Jorge Lopez-Rosas, Camron Stokes, Tsz Cheung, Sang-Jun Lee, Charles Titus, Jocelyn Valenzuela, Grace Jeanpierre, Halim Muhammad, Polo Tran, Perla Sandoval, Tyanna Supreme, Virginia Altoe, Jan Vavra, Helena Raabova, Vaclav Vanek, Sami Sainio, William Doriese, Galen O'Neil, Daniel Swetz, Joel Ullom, Kent Irwin, Dennis Nordlund, Petr Cigler, Abraham Wolcott

Version 1 posted 05 January 2022

333

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Chemical Education

Working Paper

Image Analysis to Demonstrate Adsorption and Absorption Processes Through Image Brightness Using Copper(II) Ions and Fish Scales in Teabags: A Colorimetric-Based Analysis

Maribel Abigail Sofian, Laura Punsu, James Isaac Doloksaribu, Lie Miah, Norbertus Krisnu Prabowo

Version 1 posted 05 June 2024

99

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Nanoscience

Working Paper

Navigate flying molecular elephants safely to the ground: mass-selective soft landing up to the Mega-Dalton range by Electrospray Controlled Ion-Beam Deposition

Andreas Walz, Karolina Stoiber, Annette Huettig, Hartmut Schlichting, Johannes V Barth

Version 2 posted 28 September 2021

651

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Physical Chemistry

Review

Advances in nano- and microscale NMR spectroscopy using diamond quantum sensors

Robin D. Allert, Karl D. Briegel, Dominik B. Bucher

Version 3 posted 27 May 2022

306

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Materials Chemistry

Working Paper

High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study

Diego Cortés-Arriagada

Version 1 posted 01 September 2021

272

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Physical Chemistry

Working Paper

Dynamic Wetting of Photo-Responsive Arylazopyrazole Monolayers is Controlled by the Molecular Kinetics of the Monolayer

Christian Honnigfort, Leon Topp, Natalia García Rey, Andreas Heuer, Björn Braunschweig

Version 2 posted 17 February 2022

398

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14 results in Surface Science in Keywords: Surface Science

Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

Stable Surfaces that Bind too Tightly: Can Range Separated Hybrids or DFT+U Improve Paradoxical Descriptions of Surface Chemistry?

Effective Removal of Water-Soluble Methylated Arsenic Contaminants with Phosphorene Oxide Nanoflakes: A DFT Study

Circuit Analysis of Ionizing Surface Potential Measurements of Electrolyte Solutions

A metastable brominated nanodiamond surface enables room temperature and catalysis-free amine chemistry

Image Analysis to Demonstrate Adsorption and Absorption Processes Through Image Brightness Using Copper(II) Ions and Fish Scales in Teabags: A Colorimetric-Based Analysis

Navigate flying molecular elephants safely to the ground: mass-selective soft landing up to the Mega-Dalton range by Electrospray Controlled Ion-Beam Deposition

Advances in nano- and microscale NMR spectroscopy using diamond quantum sensors

High Stability and Properties of Adsorbed Polycyclic Aromatic Hydrocarbons (PAHs) onto Phosphorene: An atomistic DFT study

Dynamic Wetting of Photo-Responsive Arylazopyrazole Monolayers is Controlled by the Molecular Kinetics of the Monolayer

14 results in Keywords: Surface Science