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Molecular dynamics simulation of the transformation of Fe-Co alloy by machine learning force field based on atomic cluster expansion 期刊论文
CHEMICAL PHYSICS LETTERS, 2023, 卷号: 826, 页码: 6
作者:  Li, Yongle;  Xu, Feng;  Hou, Long;  Sun, Luchao;  Su, Haijun;  Li, Xi;  Ren, Wei
收藏  |  浏览/下载：18/0  |  提交时间：2024/01/07
Molecular dynamics  Atomic cluster expansion  Fe-Co Alloy  Density functional theory  Phase transition  Force field  
Green synthesis, characterization and photocatalytic activity of silver nanoparticles synthesized with Nigella Sativa seed extract 期刊论文
CHEMICAL PHYSICS LETTERS, 2021, 卷号: 763, 页码: 10
作者:  Chand, Kishore;  Jiao, Cheng;  Lakhan, Muhammad Nazim;  Shah, Ahmer Hussain;  Kumar, Vinod;  Fouad, Diaa Eldin;  Chandio, Muhammad Basit;  Maitlo, Asif Ali;  Ahmed, Mukhtiar;  Cao, Dianxue
收藏  |  浏览/下载：146/0  |  提交时间：2021/03/15
Silver nano particles  Nigella sativa  Plant extract  Nano-catalyst  Congo red  
Photocatalytic H-2 evolution on CdS modified with partially crystallized MoS2 under visible light irradiation 期刊论文
CHEMICAL PHYSICS LETTERS, 2020, 卷号: 746, 页码: 7
作者:  Bo, Tingting;  Wang, Yongzhao;  Wang, Juan;  Zhao, Zhiliang;  Zhang, Jing;  Zheng, Kang;  Lin, Tsungwu;  Zhang, Bingsen;  Shao, Lidong
收藏  |  浏览/下载：127/0  |  提交时间：2021/02/02
MoS2  CdS  Hydrogen evolution  Partially crystallized  Photocatalysis  
Thermally stable Pd/reduced graphene oxide aerogel catalysts for solvent-free oxidation of benzyl alcohol 期刊论文
CHEMICAL PHYSICS LETTERS, 2020, 卷号: 746, 页码: 6
作者:  Zhao, Zhiliang;  Zhang, Jing;  Wang, Yongzhao;  Guo, Wenyao;  Lv, Lin;  Li, Baiyu;  Zheng, Kang;  Bo, Tingting;  Peng, Dengchao;  Zhou, Zhiyuan;  Zhang, Bingsen;  Shao, Lidong
收藏  |  浏览/下载：141/0  |  提交时间：2021/02/02
Pd nanoparticles  Solvent-free oxidation  Benzyl alcohol  Graphene oxide  Aerogel  
First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal 期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69
作者:  Xue, YB;  Wang, WY;  Guo, Y;  Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China.
收藏  |  浏览/下载：202/0  |  提交时间：2018/06/05
Total-energy Calculations  Augmented-wave Method  Doped Basno3  Ab-initio  Barium Stannate  1st Principles  Thin-films  Basis-set  Perovskite  Ceramics  
The synergy effect and reaction pathway in the oxygen reduction reaction on the sulfur and nitrogen dual doped graphene catalyst 期刊论文
CHEMICAL PHYSICS LETTERS, 2017, 卷号: 677, 页码: 65-69
作者:  Song, Jian;  Liu, TianFu;  Ali, Sajjad;  Li, Bo;  Su, DangSheng;  Li, B;  Su, DS (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Peoples R China.
收藏  |  浏览/下载：99/0  |  提交时间：2017/08/17
Orr  Doping  Spin Density  
Photochemical functionalization of diamond films using a short carbon chain acid 期刊论文
CHEMICAL PHYSICS LETTERS, 2016, 卷号: 646, 页码: 87-90
作者:  Wang, Chun;  Huang, Nan;  Zhuang, Hao;  Yang, Bing;  Zhai, Zhaofeng;  Jiang, Xin;  xjiang@imr.ac.cn
收藏  |  浏览/下载：111/0  |  提交时间：2016/04/21
Vacancy formation energy and size effects 期刊论文
Chemical Physics Letters, 2014, 卷号: 600, 页码: 43-45
作者:  X. H. Yu;  Z. L. Zhan;  J. Rong;  Z. Liu;  L. Li;  J. X. Liu
收藏  |  浏览/下载：115/0  |  提交时间：2014/07/03
Melting Temperature  Cohesive Energy  Particles  Films  
The dependence of SO3 dissociation on the diameter of single-wall carbon nanotubes based on first-principles calculations 期刊论文
Chemical Physics Letters, 2014, 卷号: 608, 页码: 1-5
作者:  W. Shen;  F. Li;  C. Liu;  L. C. Yin
收藏  |  浏览/下载：96/0  |  提交时间：2015/01/14
Situ Raman-spectroscopy  Augmented-wave Method  Electronic-structure  In-situ  Preferential Growth  Ab-initio  Nanoparticles  Contaminants  Adsorption  Reactivity  
Investigation of the local structure and EPR spectra for Nd3+ in Bi4Ge3O12 期刊论文
Chemical Physics Letters, 2013, 卷号: 557, 页码: 182-185
作者:  H. Li;  X. Y. Kuang;  C. G. Li;  Z. H. Wang;  X. W. Sheng
收藏  |  浏览/下载：124/0  |  提交时间：2013/12/24
Rare-earth Ions  Superposition Model  Crystal-field  Bi4si3o12  Systems