Yafei Dai

发表

Polar Ketone-Functionalized Metal-Organic Framework Showing a High CO2 Adsorption Performance.

Genfeng Feng, Yuxin Peng, Wei Liu, 2017, Inorganic chemistry.

Coronoid nanographene C216 as hydrogen purification membrane: A density functional theory study

Jinlong Yang, Wei Liu, Yafei Dai, 2018, Carbon.

Density functional theory study of neutral and oxidized thiophene oligomers.

Estela Blaisten-Barojas, Yafei Dai, Chengwei Wei, 2013, The Journal of chemical physics.

Bipolarons and polaron pairs in oligopyrrole dications

Estela Blaisten-Barojas, Yafei Dai, Chengwei Wei, 2012 .

Energetics, structure, and electron detachment spectra of calcium and zinc neutral and anion clusters: a density functional theory study.

Estela Blaisten-Barojas, Yafei Dai, 2008, The journal of physical chemistry. A.

Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry.

Jinlong Yang, Shiming Zhou, Cen-Feng Fu, 2015, Journal of the American Chemical Society.

Electronic and optical properties of pyrrole and thiophene oligomers: A density functional theory study

Yafei Dai, Juan Chen, Cheng-Lin Luo, 2017 .

Cavity partition and functionalization of a [2+3] organic molecular cage by inserting polar P[double bond, length as m-dash]O bonds.

Genfeng Feng, Yuxin Peng, Wei Liu, 2016, Chemical communications.

A Density Functional Study of the Nonlinear Optical Properties of Edge-Functionalized Nonplanar Nanographenes.

Jinlong Yang, Zhenyu Li, Yafei Dai, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Density Functional Study of Nonlinear Optical Properties of Grossly Warped Nanographene C80H30

Jinlong Yang, Yafei Dai, Zhenyu Li, 2014 .

Quantum and classical studies of calcium and zinc clusters and of pyrrole oligomers

Yafei Dai, 2009 .

In-situ activated polycation as a multifunctional additive for Li-S batteries

Changhong Wang, Jinlong Yang, W. Lu, 2016 .

Energetics, structure, and charge distribution of reduced and oxidized n-pyrrole oligomers: a density functional approach.

Estela Blaisten-Barojas, Yafei Dai, 2008, The Journal of chemical physics.

Cationic Covalent Organic Framework Nanosheets for Fast Li-Ion Conduction.

Hongwei Chen, Liwei Chen, Chenji Hu, 2018, Journal of the American Chemical Society.

Activity Origin and Design Principles for Oxygen-Reduction on Dual-Metal-Site Catalysts: A Combined Density Functional Theory and Machine Learning Study.

Min Gu, Yafei Li, Xiaorong Zhu, 2019, The journal of physical chemistry letters.

Energetics and vibrational analysis of methyl salicylate isomers.

Estela Blaisten-Barojas, Yafei Dai, R. Massaro, 2009, The journal of physical chemistry. A.

Fiber-Shaped Electrochemical Capacitors Based on Plasma-Engraved Graphene Fibers with Oxygen Vacancies for Alternating Current Line Filtering Performance

Xinhua Xu, Zhongming Zeng, Yan Zhang, 2019, ACS Applied Energy Materials.

Pressure and disorder effects on the half-metallic character and magnetic properties of the full-Heusler alloy Co2FeSi

Yafei Dai, Cheng-Lin Luo, Xingfeng Zhu, 2014 .

The liquid-solid phase transition characteristics of AgxCu(500−x) alloy particles: a molecular dynamics study

Yafei Dai, Jian Hou, Hong Lu, 2018, Materials Research Express.

Dynamical Monte Carlo studies of the three-dimensional bimodal random-field Ising model

Yafei Dai, Wanjie Xiong, 2012 .

A short review of nanographenes: structures, properties and applications

Jinlong Yang, Kai Ding, Yafei Dai, 2018 .

Diffusion and desorption of oxygen atoms on graphene

Jinlong Yang, Zhenyu Li, Yafei Dai, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

Density Functional Theory Study of the Structure and Energetics of Negatively Charged Oligopyrroles

Estela Blaisten-Barojas, Yafei Dai, Sugata Chowdhury, 2011 .

Super Moisture‐Absorbent Gels for All‐Weather Atmospheric Water Harvesting

Ye Shi, Guihua Yu, Fei Zhao, 2019, Advanced materials.

Stability, magnetic, and electronic properties of L21 and B2 phases in Co2MnAl Heusler alloy

Yafei Dai, Cheng-Lin Luo, E. Jiang, 2015 .

Pressure distribution based optimization of phase-coded acoustical vortices

Yafei Dai, Dong Zhang, Qingyu Ma, 2014 .

Rational Design of Cathode Structure for High Rate Performance Lithium-Sulfur Batteries.

Changhong Wang, Jinlong Yang, W. Lu, 2015, Nano letters.

A cycloparaphenylene nanoring with graphenic hexabenzocoronene sidewalls.

Jinlong Yang, Shangfeng Yang, Pingwu Du, 2016, Chemical communications.

Monte Carlo study of oligopyrroles in condensed phases.

Estela Blaisten-Barojas, Yafei Dai, 2010, The Journal of chemical physics.

A possible formation mechanism of double-walled and multi-walled carbon nanotube: a molecular dynamics study

Yafei Dai, Cheng-Lin Luo, Xingfeng Zhu, 2016 .