Prajay Patel

Dr. Prajay Patel

Chemistry, University of Dallas, Irving, Texas, USA
orcid

Research Focus & Metrics

Academic Career Length

9Years (2018-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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18 July 2022 in The Journal of Physical Chemistry C
Verified
Journal Article
Closed access
Prajay PatelPrajay Patel
Prajay Patel
ZLZheng Lu
Zheng Lu
MJMehrafshan G. Jafari
Mehrafshan G. Jafari
CHCristina Hernández-Prieto
Cristina Hernández-Prieto
PZPavel Zatsepin
Pavel Zatsepin
Cong LiuCong Liu
Cong Liu

4 June 2021 in ACS Catalysis
Verified
Journal Article
Closed access
Prajay PatelPrajay Patel
Prajay Patel
RWRobert H. Wells
Robert H. Wells
DKDavid M. Kaphan
David M. Kaphan
MDMassimiliano Delferro
Massimiliano Delferro
RSRex T. Skodje
Rex T. Skodje
Cong LiuCong Liu
Cong Liu

28 March 2024 in Catalysts
Verified
Journal Article
Open access
PDF file
JXJiayi Xu
Jiayi Xu
CLColton Lund
Colton Lund
Prajay PatelPrajay Patel
Prajay Patel
YKYu Lim Kim
Yu Lim Kim
Cong LiuCong Liu
Cong Liu
To satisfy the need for catalyst materials with high activity, selectivity, and stability for energy conversion, material design and discovery guided by theoretical insights are a necessity. In the past decades, the rise in theoretical investigations into the properties of catalyst materials, reaction mechanisms, and catalyst design principles has shed light on the catalysis field. Quantitative structure–activity relationships have been developed through incorporating spectroscopic simulations, electronic structure calculations, and reaction mechanistic studies. In this review, we report the state-of-the-art computational approaches to catalyst materials characterization for supported single-atom and cluster catalysts utilizing spectroscopic simulations, i.e., XANES simulation, and material properties investigation via electronic-structure calculations. Furthermore, approaches regarding reaction mechanisms, focusing on active site heterogeneity, are also discussed.

24 January 2018 in The Journal of Physical Chemistry C
Verified
Journal Article
Closed access
COChristopher O. Obondi
Christopher O. Obondi
GLGary N. Lim
Gary N. Lim
YJYoungwoo Jang
Youngwoo Jang
Prajay PatelPrajay Patel
Prajay Patel
AWAngela K. Wilson
Angela K. Wilson
FDFrancis D'souza
Francis D'souza

17 September 2018 in Journal of Computer-Aided Molecular Design
Verified
Journal Article
Closed access
PDF file
YEYiğitcan Eken
Yiğitcan Eken
Prajay PatelPrajay Patel
Prajay Patel
TDThomas Díaz
Thomas Díaz
MJMichael R. Jones
Michael R. Jones
AWAngela K. Wilson
Angela K. Wilson

31 December 2019 in Journal of Computational Chemistry
Verified
Journal Article
Closed access
PDF file
Prajay PatelPrajay Patel
Prajay Patel
AWAngela K. Wilson
Angela K. Wilson