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Search Publications by: Adam Biacchi (Fed)

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Displaying 1 - 25 of 33

Recent progress in the JARVIS infrastructure for next-generation data-driven materials design

October 18, 2023
Daniel Wines, Ramya Gurunathan, Kevin Garrity, Brian DeCost, Adam Biacchi, Francesca Tavazza, Kamal Choudhary
The Joint Automated Repository for Various Integrated Simulations (JARVIS) infrastructure at NIST is a large-scale collection of curated datasets and tools with more than 80000 materials and millions of properties. JARVIS uses a combination of electronic

Direct Visualization of Chemically Resolved Multilayered Domains in Mixed-Linker Metal-Organic Frameworks

June 15, 2023
Andrea Centrone, Belen Lerma-Berlanga, Adam Biacchi, Carmen Fernandez Conde, Georges Pavlidis, Carlos Marti-Gastaldo
The modular synthesis approach for assembling inorganic nodes and organic multidentate linkers into reticular solids enables rational engineering in porous materials known as metal-organic frameworks (MOFs). Incorporation of two or more linker types in MOF

Thermosensitivity Through Exchange Coupling in Ferrimagnetic/Antiferromagnetic Nano-Objects for Magnetic Based Thermometry

March 6, 2023
Frank Abel, Eduardo De Lima Correa, Adam Biacchi, Thinh Bui, Solomon I. Woods, Angela R. Hight Walker, Cindi L. Dennis
Temperature is a fundamental physical quantity important to the physical and biological sciences. Measurement of temperature within an optically inaccessible three-dimensional (3D) volume at microscale resolution is currently limited. Thermal magnetic

AtomVision: A machine vision library for atomistic images

March 1, 2023
Brian DeCost, Ramya Gurunathan, Adam Biacchi, Kamal Choudhary
Computer vision techniques have immense potential for materials design applications. In this work, we introduce an integrated and general-purpose AtomVision library that can be used to generate and curate microscopy image (such as scanning tunneling

Thermal and Electronic Properties of Ba2MnSe3

February 15, 2023
Adam Biacchi, Oluwagbemiga Ojo, Wilarachchige Gunatilleke, George Nolas
The structural, thermal, and electronic properties of Ba2MnSe3 were investigated. Analysis of the low-temperature heat capacity revealed a low Debye temperature and a low average speed of sound that, together with the bonding in this material, result in a

Polyoxovanadates as Precursors for the Synthesis of Colloidal Multi-Metal Oxide Nanocrystals

March 31, 2022
Adam Biacchi, Lucas Johnson, Ashley Sweet, Eric Cal, Angela R. Hight Walker, Matthew Buck, Luke Barrante
Colloidal multi-metal oxide nanocrystals that contain the element vanadium are attractive materials for enabling diverse technologies. Few nanocrystal systems are synthetically well-developed, however, which is attributable to a scarcity of molecular

Synthesis, crystal structure, and physical properties of BaSnS2

February 11, 2022
Wilarachchige Gunatilleke, Andrew May, Angela R. Hight Walker, Adam Biacchi, George Nolas
Phase-pure BaSnS2, with space group Pn21/c, was synthesized and the structural and physical properties were investigated. The thermal properties and optical measurements are reported for the first time. The Debye temperature and Sommerfeld coefficient were

Dependence of Single-Wall Carbon Nanotubes Alignment on the Filter Membrane Interface in Slow Vacuum Filtration

January 22, 2022
Jeffrey Fagan, Angela R. Hight Walker, Adam Biacchi, Andrei Kolmakov, Zia Macdermid, William D. Rice, Joshua Walker, Thomas Searles
The recent development of slow vacuum filtration (SVF) technology has shown great promise for reproducibly producing high-quality, large-area aligned films of single-wall carbon nanotubes (SWCNTs) from solution-based nanotube dispersions. In contrast to

Advanced characterization of magnetization dynamics in iron oxide magnetic nanoparticle tracers

January 5, 2022
Thinh Bui, Adam Biacchi, Brianna Bosch Correa, Cindi L. Dennis, Weston L. Tew, Angela R. Hight Walker, Solomon I. Woods
Characterization of the magnetization dynamics of single-domain magnetic nanoparticles (MNPs) is important for magnetic particle imaging (MPI), magnetic resonance imaging (MRI), and emerging medical diagnostic/therapeutic technologies. Depending on

Synthesis of Mixed-Valent Lanthanide Sulfide Nanoparticles

August 23, 2021
Pricilla Glaser, Orlando Stewart, Rida Atif, Dane Asuigui, Joel Swanson, Adam Biacchi, Angela R. Hight Walker, Gregory Morrison, Hans-Conrad zur Loye, Sarah Stoll
In targeting reduced valence lanthanides, we report the first nanoparticle synthesis of the mixed-valent ferromagnets Eu3S4 and EuSm2S4. Using divalent lanthanide halides with bis(trimethylsilyl)sulfide and oleylamine, we prepared nanoparticles of EuS

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

November 12, 2020
Kamal Choudhary, Kevin Garrity, Andrew C. Reid, Brian DeCost, Adam Biacchi, Angela R. Hight Walker, Zachary Trautt, Jason Hattrick-Simpers, Aaron Kusne, Andrea Centrone, Albert Davydov, Francesca Tavazza, Jie Jiang, Ruth Pachter, Gowoon Cheon, Evan Reed, Ankit Agrawal, Xiaofeng Qian, Vinit Sharma, Houlong Zhuang, Sergei Kalinin, Ghanshyam Pilania, Pinar Acar, Subhasish Mandal, David Vanderbilt, Karin Rabe
The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques

Design and Engineering Colloidal Magnetic Particles for Nanoscale Thermometry

September 2, 2020
Adam J. Biacchi, Thinh Q. Bui, Cindi L. Dennis, Solomon I. Woods, Angela R. Hight Walker
Thermometry based on magnetic nanoparticles (MNPs) is an emerging technology that allows for remote temperature measurements throughout a volume that are impossible to achieve using conventional probe-based or optical methods. This metrology is based on

High-throughput Density Functional Perturbation Theory and Machine Learning Predictions of Infrared, Piezoelectric and Dielectric Responses

May 27, 2020
Kamal Choudhary, Kevin F. Garrity, Vinit Sharma, Adam J. Biacchi, Francesca M. Tavazza, Angela R. Hight Walker
In this work, combining high-throughput (HT) density functional perturbation theory and supervised machine learning approaches, we explored the territory of compounds with interesting infrared, piezoelectric and dielectric properties. We have computed Γ

Global alignment of solution-based single-wall carbon nanotube films via machine-vision controlled filtration

September 11, 2019
Jeffrey A. Fagan, Angela R. Hight Walker, Adam J. Biacchi, Joshua S. Walker, William D. Rice, Thomas Searles, Valerie A. Kuehl
Over the past decade, substantial progress has been made in the chemical processing (chiral enrichment, length sorting, handedness selectivity, and filling substance) of single- wall carbon nanotubes (SWCNTs). Recently, it was shown that large

Correlating anisotropic mobility and intermolecular phonons in organic semiconductors to investigate transient localization

March 19, 2019
Emily G. Bittle, Adam J. Biacchi, Lisa A. Fredin, Andrew A. Herzing, Thomas C. Allison, Angela R. Hight Walker, David J. Gundlach
Charge transport in organic semiconductors is governed by a mix of polaron hopping and band- like transport mechanisms. The energy of polaron hopping and formation are similar in magnitude to the energies of inter- and intra- molecular modes, which points

Electrical Detection of Singlet Fission in Single Crystal Tetracene Transistors

January 4, 2019
Hyuk-Jae Jang, Emily Bittle, Qin Zhang, Adam Biacchi, Curt A. Richter, David J. Gundlach
Here, we present the electrical detection of singlet fission in tetracene by using a field- effect transistor (FET). Singlet fission is a photo-induced spin-dependent process yielding two triplet excitons from the absorption of a single photon. , In this

Contact and Non-Contact Measurement of Electronic Transport in Individual 2D SnS Colloidal Semiconductor Nanocrystals

September 24, 2018
Adam J. Biacchi, Son T. Le, Brian G. Alberding, Joseph A. Hagmann, Sujitra J. Pookpanratana, Edwin J. Heilweil, Curt A. Richter, Angela R. Hight Walker
Colloidal-based solution syntheses offer a scalable and cost-efficient means of producing 2D nanomaterials in high yield. While much progress has been made towards the controlled and tailorable synthesis of semiconductor nanocrystals in solution, it

High-throughput assessment of vacancy formation and surface energies of materials using classical force-fields

September 7, 2018
Kamal Choudhary, Adam J. Biacchi, Supriyo Ghosh, Lucas M. Hale, Angela R. Hight Walker, Francesca M. Tavazza
In this work, we present an open access database for surface and vacancy-formation energies using classical force-fields (FFs). These quantities are essential in understanding diffusion behavior, nanoparticle formation and catalytic activities. FFs are