Zobrazeno 1 - 10
of 76
pro vyhledávání: '"Zachary W Ulissi"'
Autor:
Janice Lan, Aini Palizhati, Muhammed Shuaibi, Brandon M. Wood, Brook Wander, Abhishek Das, Matt Uyttendaele, C. Lawrence Zitnick, Zachary W. Ulissi
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-9 (2023)
Abstract Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is the need to accurately compute the adsorption energy for an a
Externí odkaz:
https://doaj.org/article/f25b837e1ba548f09ed9d05d5c3bea76
Autor:
Xiaoxiao Wang, Joseph Musielewicz, Richard Tran, Sudheesh Kumar Ethirajan, Xiaoyan Fu, Hilda Mera, John R Kitchin, Rachel C Kurchin, Zachary W Ulissi
Publikováno v:
Machine Learning: Science and Technology, Vol 5, Iss 2, p 025018 (2024)
Although density functional theory (DFT) has aided in accelerating the discovery of new materials, such calculations are computationally expensive, especially for high-throughput efforts. This has prompted an explosion in exploration of machine learn
Externí odkaz:
https://doaj.org/article/20ecae75a8384f14a7101708909c445d
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-7 (2017)
Finding catalyst mechanisms remains a challenge due to the complexity of hydrocarbon chemistry. Here, the authors shows that scaling relations and machine-learning methods can focus full-accuracy methods on the small subset of rate-limiting reactions
Externí odkaz:
https://doaj.org/article/f70daa3691ba4e61869251a1b60cfe88
Autor:
Jose A. Loli, Amish R. Chovatiya, Yining He, Zachary W. Ulissi, Maarten P. de Boer, Bryan A. Webler
Publikováno v:
Oxidation of Metals. 98:429-450
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::90654e3fae89629124ab01c8cf110467
https://doi.org/10.1007/s11085-022-10129-z
https://doi.org/10.1007/s11085-022-10129-z
Autor:
Adeesh Kolluru, Muhammed Shuaibi, Aini Palizhati, Nima Shoghi, Abhishek Das, Brandon Wood, C. Lawrence Zitnick, John R. Kitchin, Zachary W. Ulissi
Publikováno v:
ACS Catalysis. 12:8572-8581
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3c7385ede0aa728601e5bd6f46498af
https://doi.org/10.1021/acscatal.2c02291
https://doi.org/10.1021/acscatal.2c02291
Autor:
Richard Tran, Duo Wang, Ryan Kingsbury, Aini Palizhati, Kristin Aslaug Persson, Anubhav Jain, Zachary W. Ulissi
Publikováno v:
The Journal of chemical physics. 157(7)
Electrocatalysis provides a potential solution to [Formula: see text] pollution in wastewater by converting it to innocuous N2 gas. However, materials with excellent catalytic activity are typically limited to expensive precious metals, hindering the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a0f3babe61fc5b08eb6e6faad75ed434
https://pubmed.ncbi.nlm.nih.gov/35987588
https://pubmed.ncbi.nlm.nih.gov/35987588
Autor:
Bjarne Kreitz, Patrick Lott, Jongyoon Bae, Katrín Blöndal, Sofia Angeli, Zachary W. Ulissi, Felix Studt, C. Franklin Goldsmith, Olaf Deutschmann
Emissions from vehicles contain a variety of pollutants that must be either oxidized or reduced efficiently in the catalytic converter. Improvements to the catalyst require knowledge of the microkinetics, but the complexity of the exhaust gas mixture
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e623d97a0e8513742b4a7d26044b1dc1
https://doi.org/10.26434/chemrxiv-2022-r5wn0-v2
https://doi.org/10.26434/chemrxiv-2022-r5wn0-v2
Publikováno v:
ACS Catalysis. 11:2483-2491
Electrochemical reduction of O2 provides a clean and decentralized pathway to produce H2O2 compared to the current energy-intensive anthraquinone process. As the electrochemical reduction of O2 pro...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::90b6475b30f5704c0bcaec12fb6c9800
https://doi.org/10.1021/acscatal.0c05494
https://doi.org/10.1021/acscatal.0c05494
Publikováno v:
ACS Applied Materials & Interfaces. 12:38256-38265
Discovering acid-stable, cost-effective and active catalysts for oxygen evolution reaction (OER) is critical since this reaction is bottlenecking many electrochemical energy conversion systems. Current systems use extremely expensive iridium oxide ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c31f61b5acdf11fa11bff5a90348b13d
https://doi.org/10.1021/acsami.0c11821
https://doi.org/10.1021/acsami.0c11821
Autor:
Phil De Luna, Yuanjie Pang, Edward H. Sargent, Zongqian Yu, Cao-Thang Dinh, Shen-Chuan Lo, Fanglin Che, Ali Seifitokaldani, Chuanhao Wang, Alexander H. Ip, Min Liu, Kevin Tran, Peter M. Brodersen, Mikhail Askerka, Zachary W. Ulissi, Yimeng Min, Song Sun, Ziyun Wang, Armin Sedighian Rasouli, Miao Zhong, Oleksandr Voznyy, Chih Shan Tan
Publikováno v:
Nature. 581:178-183
The rapid increase in global energy demand and the need to replace carbon dioxide (CO2)-emitting fossil fuels with renewable sources have driven interest in chemical storage of intermittent solar and wind energy1,2. Particularly attractive is the ele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::961ffe64e3c2513c5ed3f39078a7860b
https://doi.org/10.1038/s41586-020-2242-8
https://doi.org/10.1038/s41586-020-2242-8