Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Lauren N. Walters"'
Density Functional Theory-Based Thermodynamic Model for Stable Scale Formation in Lead-Water Systems
Publikováno v:
The Journal of Physical Chemistry C. 126:16841-16850
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db462bc38735359c826d168de35960a3
https://doi.org/10.1021/acs.jpcc.2c04836
https://doi.org/10.1021/acs.jpcc.2c04836
Autor:
Chi Zhang, Jiangang He, Rebecca McClain, Hongyao Xie, Songting Cai, Lauren N. Walters, Jiahong Shen, Fenghua Ding, Xiuquan Zhou, Christos D. Malliakas, James M. Rondinelli, Mercouri G. Kanatzidis, Chris Wolverton, Vinayak P. Dravid, Kenneth R. Poeppelmeier
Publikováno v:
Journal of the American Chemical Society. 144:2569-2579
Although BiAgOSe, an analogue of a well-studied thermoelectric material BiCuOSe, is thermodynamically stable, its synthesis is complicated by the low driving force of formation from the stable binary and ternary intermediates. Here we have developed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38c6d710a47ccb7fec223494820148b0
https://doi.org/10.1021/jacs.1c10284
https://doi.org/10.1021/jacs.1c10284
Publikováno v:
The Journal of Physical Chemistry C. 125:14027-14038
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8386ab7c94a4ee8e2c4e63b060ff270c
https://doi.org/10.1021/acs.jpcc.1c02505
https://doi.org/10.1021/acs.jpcc.1c02505
We formulate the maximum driving force (MDF) parameter as a descriptor to capture the thermodynamic stability of aqueous surface scale creation over a range of environmental conditions. We use formation free energies, $\Delta_f G$s, sourced from high
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d069450932549373a421b151827096a9
http://arxiv.org/abs/2203.11013
http://arxiv.org/abs/2203.11013
Publikováno v:
Polymer. 170:190-197
Thermoresponsive poly ( N -isopropylacrylamide) (PNIPAM) has many analogs that exhibit cononsolvency behavior in mixtures of water and an alcohol. Cononsolvency is characterized by a combination of good solvents for a polymer that results in decrease
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::055ab9221dd605062d21eaf0ed68bd99
https://doi.org/10.1016/j.polymer.2019.03.011
https://doi.org/10.1016/j.polymer.2019.03.011
Publikováno v:
Physical review letters. 123(23)
Using a first-principles approach, we design the heteroanionic oxynitride MoON to exhibit a first-order isosymmetric thermally activated Peierls-type metal-insulator transition (MIT). We identify a ground state insulating phase ($\ensuremath{\alpha}$
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ebd574cae8af4cd8c799c75af28e61a
https://pubmed.ncbi.nlm.nih.gov/31868440
https://pubmed.ncbi.nlm.nih.gov/31868440