Yuhua Duan

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 17

Top Topics

Electron Transfer

High Temperature

Molecular Dynamics

Top Venues

Nanomaterials (Basel, Switzerland)

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Manh Tien Nguyen, Yuhua Duan, Qing Shao
Effect of Zwitterionic Additives on Solvation and Transport of Sodium and Potassium Cations in (Ethylene Oxide) 10 : A Molecular Dynamics Simulation Study. Nanomaterials (Basel, Switzerland) 14 (2) (2024)
Manh Tien Nguyen, Yuhua Duan, Qing Shao
Effect of Zwitterionic Additives on Solvation and Transport of Sodium and Potassium Cations in (Ethylene Oxide) 10 : A Molecular Dynamics Simulation Study. Nanomaterials (Basel, Switzerland) 14 (2) (2024)
Hari P Paudel, Gary R Lander, Scott E Crawford, Yuhua Duan
Sensing at the Nanoscale Using Nitrogen-Vacancy Centers in Diamond: A Model for a Quantum Pressure Sensor. Nanomaterials (Basel, Switzerland) 14 (8) (2024)
Hari P Paudel, Gary R Lander, Scott E Crawford, Yuhua Duan
Sensing at the Nanoscale Using Nitrogen-Vacancy Centers in Diamond: A Model for a Quantum Pressure Sensor. Nanomaterials (Basel, Switzerland) 14 (8) (2024)
Manh Tien Nguyen, Yuhua Duan, Qing Shao
Effect of Zwitterionic Additives on Solvation and Transport of Sodium and Potassium Cations in (Ethylene Oxide) 10 : A Molecular Dynamics Simulation Study. Nanomaterials (Basel, Switzerland) 14 (2) (2024)
Dominic Alfonso, Benjamin Avramidis, Hari P Paudel, Yuhua Duan
How Well Can Quantum Embedding Method Predict the Reaction Profiles for Hydrogenation of Small Li Clusters? Nanomaterials (Basel, Switzerland) 14 (15) (2024)
Hari P Paudel, Gary R Lander, Scott E Crawford, Yuhua Duan
Sensing at the Nanoscale Using Nitrogen-Vacancy Centers in Diamond: A Model for a Quantum Pressure Sensor. Nanomaterials (Basel, Switzerland) 14 (8) (2024)
Dominic Alfonso, Benjamin Avramidis, Hari P Paudel, Yuhua Duan
How Well Can Quantum Embedding Method Predict the Reaction Profiles for Hydrogenation of Small Li Clusters? Nanomaterials (Basel, Switzerland) 14 (15) (2024)
Dominic Alfonso, Benjamin Avramidis, Hari P Paudel, Yuhua Duan
How Well Can Quantum Embedding Method Predict the Reaction Profiles for Hydrogenation of Small Li Clusters? Nanomaterials (Basel, Switzerland) 14 (15) (2024)
Lavrenty Gennady Gutsev, Sean M Nations, Bala Ramu Ramachandran, Gennady Lavrenty Gutsev, Shengnian Wang, Sergey M Aldoshin, Yuhua Duan
Redox Chemistry of the Subphases of α-CsPbI 2 Br and β-CsPbI 2 Br: Theory Reveals New Potential for Photostability. Nanomaterials (Basel, Switzerland) 13 (2) (2023)
Lavrenty Gennady Gutsev, Sean M Nations, Bala Ramu Ramachandran, Gennady Lavrenty Gutsev, Shengnian Wang, Sergey M Aldoshin, Yuhua Duan
Redox Chemistry of the Subphases of α-CsPbI 2 Br and β-CsPbI 2 Br: Theory Reveals New Potential for Photostability. Nanomaterials (Basel, Switzerland) 13 (2) (2023)
Lavrenty Gennady Gutsev, Sean M Nations, Bala Ramu Ramachandran, Gennady Lavrenty Gutsev, Shengnian Wang, Sergey M Aldoshin, Yuhua Duan
Redox Chemistry of the Subphases of α-CsPbI 2 Br and β-CsPbI 2 Br: Theory Reveals New Potential for Photostability. Nanomaterials (Basel, Switzerland) 13 (2) (2023)
Lavrenty Gennady Gutsev, Sean M Nations, Bala Ramu Ramachandran, Gennady Lavrenty Gutsev, Shengnian Wang, Sergey M Aldoshin, Yuhua Duan
Redox Chemistry of the Subphases of α-CsPbI 2 Br and β-CsPbI 2 Br: Theory Reveals New Potential for Photostability. Nanomaterials (Basel, Switzerland) 13 (2) (2023)
Jongwoo Park, Wissam A Saidi, Jeffrey K Wuenschell, Bret H Howard, Benjamin Chorpening, Yuhua Duan
Assessing the Effects of Temperature and Oxygen Vacancy on Band Gap Renormalization in LaCrO3-δ: First-Principles and Experimental Corroboration. ACS applied materials & interfaces 13 (15) (2021)
Sean Nations, Ting Jia, Shengnian Wang, Yuhua Duan
Electronic and optical properties of orthorhombic (CH 3 NH 3 )BX 3 (B = Sn, Pb; X = F, Cl, Br, I) perovskites: a first-principles investigation. RSC advances 11 (36) (2021)
Yu-Ning Wu, Wissam A Saidi, Jeffrey K Wuenschell, Terumasa Tadano, Paul Ohodnicki, Benjamin Chorpening, Yuhua Duan
Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO3. The journal of physical chemistry letters 11 (7) (2020)
Hongliang Wang, Yuhua Duan, Qian Zhang, Bin Yang
Effects of Sugars, Furans, and their Derivatives on Hydrodeoxygenation of Biorefinery Lignin-Rich Wastes to Hydrocarbons. ChemSusChem 11 (15) (2018)