新材料,石油炼制,石油化工,精细化工

人工智能化学与材料学、数据挖掘、机器学习、大模型应用开发

Atomic Layer Deposition;Density Functional Theory;Precursor Design;Atomic Layer Deposition (ald);Density Functional Theory (dft);H2o-based Ald;Catalysts;Sustainable Hydrogen Production;Carbon-based Materials;Hydrogen Evolution Reaction (her)

1. Stepwise Mechanism and H2o-Assisted Hydrolysis in Atomic Layer Deposition of Sio2 Without A Catalyst
Guo-Yong Fang; Li-Na Xu; Lai-Guo Wang; Yan-Qiang Cao; Di Wu; Ai-Dong Li
Nanoscale Research Letters, 2015

2. ChemInform Abstract: Theoretical Understanding of the Reaction Mechanism of SiO2Atomic Layer Deposition
Guoyong Fang; Lina Xu; Jing Ma; Aidong Li
ChemInform, 2016

3. Theoretical Design and Computational Screening of Precursors for Atomic Layer Deposition
Guoyong Fang; Lina Xu; Yanqiang Cao; Aidong Li
Coordination Chemistry Reviews, 2016

4. Theoretical Understanding of the Reaction Mechanism of SiO2 Atomic Layer Deposition
Guoyong Fang; Lina Xu; Jing Ma; Aidong Li
Chemistry of Materials, 2016

5. Cooperativity in Long Α- and 3(10)-Helical Polyalanines: Both Electrostatic and Van Der Waals Interactions Are Essential.
Shugui Hua; Lina Xu; Wei Li; Shuhua Li
Journal of Physical Chemistry B, 2011

6. Cooperativity in Long Α- and 310-Helical Polyalanines: Both Electrostatic and Van Der Waals Interactions Are Essential
Shugui Hua; Lina Xu; Wei Li; Shuhua Li
The journal of physical chemistry B, 2011

7. Self-catalysis by Aminosilanes and Strong Surface Oxidation by O2 Plasma in Plasma-Enhanced Atomic Layer Deposition of High-Quality SiO2
Guo-Yong Fang; Li-Na Xu; Yan-Qiang Cao; Lai-Guo Wang; Di Wu; Ai-Dong Li
CHEMICAL COMMUNICATIONS, 2015

8. Mechanistic Insight on the Diels-Alder Reaction Catalyzed by A Self-Assembled Molecular Capsule
Lina Xu; Weijie Hua; Shugui Hua; Jun Li; Shuhua Li
JOURNAL OF ORGANIC CHEMISTRY, 2013

9. Insight into the Reaction Between a Primary Amine and a Cavitand with an Introverted Aldehyde Group: an Enzyme-Like Mechanism.
Lina Xu; Shugui Hua; Shuhua Li
CHEMICAL COMMUNICATIONS, 2013

10. Carbon-based Materials As Highly Efficient Catalysts for the Hydrogen Evolution Reaction in Microbial Electrolysis Cells: Mechanisms, Methods, and Perspectives
Lina Xu; Wei Li; Jiaqin Luo; Lingyu Chen; Kuanchang He; Dongmei Ma; Sihao Lv; Defeng Xing
CHEMICAL ENGINEERING JOURNAL, 2023