Interaction of Oxalic Acid with Dimethylamine and Its Atmospheric. Implication
|
|
|
- Louisa Skinner
- 6 years ago
- Views:
Transcription
1 Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2017 Interaction of Oxalic Acid with Dimethylamine and Its Atmospheric Implication Jiao Chen, 1,2 Shuai Jiang, 1 Yi-Rong Liu, 1 Teng Huang, 1 Chun-Yu Wang, 1,2 Shou-Kui Miao, 1,2 Zhong-quan Wang, 1,2 Yang Zhang, 1 Wei Huang 1,3,4,5 * 1 Laboratory of Atmospheric Physico- Chemistry, Anhui Institute of Optics & Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui , China 2 University of Science and Technology of China, Hefei, Anhui , China 3 School of Information Science and Technology, University of Science and Technology of China, Hefei, Anhui , China 4 School of Environmental Science & Optoelectronic Technology, University of Science and Technology of China, Hefei, Anhui , China 5 CAS Center for Excellent in Urban Atmospheric Environment, Xiamen, Fujian , China * huangwei6@ustc.edu.cn Sensitivity analysis of the applied DFT methods and single-point energy calculation based on the DFT methods In order to investigated the sensitivity of the applied DFT methods and singlepoint energy calculation based on the DFT methods, the binding energy ( E), the Gibbs free energy ( G) have been calculated for six typical reactions employing DFT method with G(2d,p) and G(3df,3pd) basis sets. The DFT and DF-LMP2-F12/VDZ-F12//DFT results are compared with a high level calculation of CCSD(T)-F12a/VDZ-F12 as a benchmark of the energies. Table S1 shown the mean absolute error (MAE), mean signed error (MSE) and Maximum error (MaxE) in the DFT binding energies ( E) and single-point energy calculation based on the DFT compared against CCSD(T)-F12a/VDZ-F12 results using both G(2d,p) and G(3df,3pd) basis sets. Our results show that there is a smallest error in the binding energy with 0.71 kcal/mol of MAE and 1.53
2 kcal/mol of MaxE for M06-2X, using the small G(2d,p) basis set. PW91PW91 show the largest MAE, MSE and MaxE of 1.55, 1.37, 2.94 kcal/mol, respectively. The error of MAE is the lowest for ωb97x-d with a value of 0.97 kcal/mol. The value of M06-2X is close to ωb97x-d. Compared the DF-LMP2-F12/VDZ-F12 binding energy with CCSD(T)-F12a/VDZ-F12. The MAE and MSE drop obviously with the value within 0.4 kcal/mol for DF-LMP2-F12/VDZ-F12//DFT. And the maximum errors are also reduced, around 1 kcal/mol. Extending the basis set to G(3df,3pd) improves the results slightly for M06-2X, PW91PW91 andωb97x- D with a difference value of 0.07, 0.40, 0.52 kcal/mol for MAE, and 0.26, 0.29, 0.74 kcal/mol for MaxE, respectively. Table S2 show that changing the basis set from G(2d,p) to G(3df,3pd) obtain a small effect on the Gibbs free energy. There is a very small difference with MAE of 0.6 kacl/mol or less, and the maximum errors are below 0.9 kcal/mol. The MAE difference between the different DFT methods is also very small, below 0.05 kcal/mol. Our comparison results imply that increasing the basis set from G(3df,3pd) to G(2d,p) does not improve the G significantly. The MAE, MSE and MaxE in the CCSD(T)-F12a/VDZ-F12 and DF-LMP2- F12/VDZ-F12 Gibbs free energy can be seen when changing from a G(d,p) to a G(3df,3pd) basis set in Table S3. In all cases there is a minute difference in the CCSD(T)-F12a/VDZ-F12 and DF-LMP2-F12/VDZ-F12 whether the geometries have been optimized with the G(d,p) or G(3df,3pd) basis set. The value of MAE, MSE and MaxE using DF-LMP2-F12/VDZ-F12 almost equal to the
3 CCSD(T)-F12a/VDZ-F12. In conclusion, our results indicate that DF-LMP2- F12/VDZ-F12// M06-2X /6-311+G(2d,p) basis set can be used as a good compromise between accuracy and computational efficient. Table S1 Mean absolute error (MAE), mean signed error (MSE) and Maximum error
4 (MaxE) in the DFT binding energies ( E) and single-point energy calculation based on the DFT of all six reactions a compared against CCSD(T)-F12a/VDZ-F12 results. All energies are in kcal/mol. Method MAE MES MaxE G(2d,p) M06-2x DF-LMP2-F12/VDZ-F12//M06-2x PW91PW DF-LMP2-F12/VDZ-F12//PW91PW ωb97x-d DF-LMP2-F12/VDZ-F12//ωB97X-D G(3df,3pd) M06-2x DF-LMP2-F12/VDZ-F12//M06-2x PW91PW DF-LMP2-F12/VDZ-F12//PW91PW ωb97x-d DF-LMP2-F12/VDZ-F12//ωB97X-D a Reactions are refer to OA + W (OA)(W), (OA)(W) + W (OA)(W) 2, OA + OA (OA) 2, OA + DMA (OA)(DMA), (OA)(DMA) + W (OA)(DMA)(W), OA + (DMA)(OA) (OA) 2 (DMA). Table S2 Mean absolute error (MAE), mean signed error (MSE) and Maximum error
5 (MaxE) in the DFT Gibbs free energy ( G) when changing the basis from G(2d,p) to G(3df,3pd). All energies are in kcal/mol. Method MAE MES MaxE G(2d,p) G(3df,3pd) M06-2x PW91PW ωb97x-d Table S3 Mean absolute error (MAE), mean signed error (MSE) and Maximum error
6 (MaxE) in the CCSD(T)-F12a/VDZ-F12 and DF-LMP2-F12/VDZ-F12 Gibbs free energy ( G) when changing the basis from G(2d,p) to G(3df,3pd). All energies are in kcal/mol. Method MAE MES MaxE G(2d,p) G(3df,3pd) CCSD(T)-F12a/VDZ-F12//M06-2x DF-LMP2-F12/VDZ-F12//M06-2x CCSD(T)-F12a/VDZ-F12//PW91PW DF-LMP2-F12/VDZ-F12// PW91PW CCSD(T)-F12a/VDZ-F12//ωB97X-D DF-LMP2-F12/VDZ-F12//ωB97X-D Figure Caption
7 Figure S1 The local minima for (C 2 H 2 O 4 )(CH 3 NHCH 3 )(H 2 O) n (n = 1-2) optimized at the M06-2x/6-311+G(2d,p) level. Figure S2 The local minima for (C 2 H 2 O 4 )(CH 3 NHCH 3 )(H 2 O) n (n = 3-4) optimized at the M06-2x/6-311+G(2d,p) level. Figure S3 The local minima for (C 2 H 2 O 4 ) 2 (CH 3 NHCH 3 )(H 2 O) n (n = 1-2) optimized at the M06-2x/6-311+G(2d,p) level. Figure S4 The local minima for (C 2 H 2 O 4 ) 2 (CH 3 NHCH 3 )(H 2 O) n (n = 3-4) optimized at the M06-2x/6-311+G(2d,p) level. Figure S1
8 Figure S2
9 Figure S3
10 Figure S4
11 Cartesian Coordinates of optimized Structures
12 OA.1W C C O O O O H H O H H OA.2W C C O O O O H H O H H O H H OA.3W O C O C O O H H O H H O H H
13 O H H OA.4W C C O O O O H H O H H O H H O H H O H H OA C C O O O O H H C C O O O O H H
14 2OA.1W O C O C O O H H O C O C O O H H O H H OA.2W O C O C O O H H O C O C O O H H O H H O H H
15 2OA.3W O C O C O O H H O H H O H H O H H OA.4W O C O C O O H H O C O C O O H H O H H O H H O
16 H H O H H OA.1DMA C N C H H H H H H H O C O C O O H H OA.1DMA.1W-a C N C H H H H H H H O C O C O O H
17 H O H H OA.1DMA.1W-b C N C H H H H H H H O C O C O O H H O H H OA.1DMA.1W-c C N C H H H H H H H O C O C O
18 O H H O H H OA.1DMA.1W-d C N C H H H H H H H O C O C O O H H O H H OA.1DMA.1W-e C N C H H H H H H H O C O
19 C O O H H O H H OA.1DMA.1W-f C N C H H H H H H H O C O C O O H H O H H OA.1DMA.2W-a C N C H H H H H H H O
20 C O C O O H H O H H O H H OA.1DMA.2W-b C N C H H H H H H H O C O C O O H H O H H O H H OA.1DMA.2W-c C N C
21 H H H H H H H O C O C O O H H O H H O H H OA.1DMA.2W-d C N C H H H H H H H O C O C O O H H O H H
22 O H H OA.1DMA.2W-e C N C H H H H H H H O C O C O O H H O H H O H H OA.1DMA.2W-f C N C H H H H H H H O C O
23 C O O H H O H H O H H OA.1DMA.2W-g C N C H H H H H H H O C O C O O H H O H H O H H OA.1DMA.3W-a C N C H H
24 H H H H H O C O C O O H H O H H O H H O H H OA.1DMA.3W-b C N C H H H H H H H O C O C O O H H O H
25 H O H H O H H OA.1DMA.3W-c C N C H H H H H H H O C O C O O H H O H H O H H O H H OA.1DMA.3W-d C N C H H H
26 H H H H O C O C O O H H O H H O H H O H H OA.1DMA.3W-e C N C H H H H H H H O C O C O O H H O H H
27 O H H O H H OA.1DMA.3W-f C N C H H H H H H H O C O C O O H H O H H O H H O H H OA.1DMA.3W-g C N C H H H H
28 H H H O C O C O O H H O H H O H H O H H OA.1DMA.4W-a O C O C O O H H C N C H H H H H H H O H H O
29 H H O H H O H H OA.1DMA.4W-b O C O C O O H H C N C H H H H H H H O H H O H H O H H O H H OA.1DMA.4W-c O C
30 O C O O H H C N C H H H H H H H O H H O H H O H H O H H OA.1DMA.4W-d O C O C O O H H C N C H H H
31 H H H H O H H O H H O H H O H H OA.1DMA.4W-e O C O C O O H H C N C H H H H H H H O H H O H H O H
32 H O H H OA.1DMA.4W-f O C O C O O H H C N C H H H H H H H O H H O H H O H H O H H OA.1DMA.4W-g O C O C O O
33 H H C N C H H H H H H H O H H O H H O H H O H H OA.1DMA.4W-h O C O C O O H H C N C H H H H H H H
34 O H H O H H O H H O H H OA.1DMA C N C H H H H H H H O C O C O O H H O C O C O O H H OA.1DMA.1W-a C N
35 C H H H H H H H O C O C O O H H O C O C O O H H O H H OA.1DMA.1W-b C N C H H H H H H H O C O C O
36 O H H O C O C O O H H O H H OA.1DMA.1W-c C N C H H H H H H H O C O C O O H H O C O C O O H H O H
37 H OA.1DMA.1W-d C N C H H H H H H H O C O C O O H H O C O C O O H H O H H OA.1DMA.1W-e C N C H H H H H H H
38 O C O C O O H H O C O C O O H H O H H OA.1DMA.1W-f C N C H H H H H H H O C O C O O H H O C O C O
39 O H H O H H OA.1DMA.1W-g C N C H H H H H H H O C O C O O H H O C O C O O H H O H H OA.1DMA.2W-a C N C H H
Theoretical Study of the Hydration of Atmospheric Nucleation Precursors with Acetic Acid
pubs.acs.org/jpca Theoretical Study of the Hydration of Atmospheric Nucleation Precursors with Acetic Acid Yu-Peng Zhu, Yi-Rong Liu, Teng Huang, Shuai Jiang, Kang-Ming Xu, Hui Wen, Wei-Jun Zhang,, and
CH Stretching Excitation Promotes its Cleavage in. Collision Energies
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2017 Electronic supplementary information for CH Stretching Excitation Promotes its
Electronic Supplementary Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2017 Electronic Supplementary Information Two-dimensional CoNi nanoparticles@s,n-doped
Study on form distribution of soil iron in western Jilin and its correlation with soil properties
35 2 2016 6 GLOBAL GEOLOGY Vol. 35 No. 2 Jun. 2016 1004 5589 2016 02 0593 08 1 1 2 1 1 1. 130061 2. 130012 50 A > B > C > D > E > F > G A A CEC B ph C E A C D G B C D P595 S151. 9 A doi 10. 3969 /j. issn.
Efficient removal of typical dye and Cr(VI) reduction using N-doped
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2014 Efficient removal of typical dye and Cr(VI) reduction using N-doped magnetic porous carbon
Supplementary Information
Electronic Supplementary Material (ESI) for Nanoscale. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Material (ESI) for Nanoscale. This journal is The Royal Society of Chemistry
Enhanced Thermal Conductivity for Poly(vinylidene fluoride) Composites with Nano-carbon Fillers
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2016 SUPPORTING INFORMATION Enhanced Thermal Conductivity for Poly(vinylidene fluoride) Composites
Electronic Supplementary Information
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2014 Electronic Supplementary Information Reaction Controlled Assemblies and Structural Diversities
Graphene Size-dependent Modulation of Graphene Framework Contributing to Superior. Thermal Conductivity of Epoxy Composite
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2018 Graphene Size-dependent Modulation of Graphene Framework Contributing to
Highly doped and exposed Cu(I)-N active sites within graphene towards. efficient oxygen reduction for zinc-air battery
Electronic Supplementary Material (ESI) for Energy & Environmental Science. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) for Energy & Environmental Science.
Enhancing thermoelectric performance in hierarchically structured BiCuSeO by. increasing bond covalency and weakening carrier-phonon coupling
Electronic Supplementary Material (ESI) for Energy & Environmental Science. This journal is The Royal Society of Chemistry 2017 Supporting Information Enhancing thermoelectric performance in hierarchically
Synthesis of ethanol from paraformaldehyde, CO 2 and H 2
Electronic Supplementary Material (ESI) for Green Chemistry. This journal is The Royal Society of Chemistry 2017 Electronic Supplementary Information Synthesis of ethanol from paraformaldehyde, CO 2 and
Electronic Supplementary Information
Electronic Supplementary Material (ESI) for Analyst. This journal is The Royal Society of Chemistry 2014 For submission to Analyst Identification and Discrimination of Binding Sites of an Organoruthenium
Supporting Information
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2014 Supporting Information A direct Fe-O coordination at FePc/MoO x interface investigated
Angucycline Glycosides from Mangrove-Derived Streptomyces diastaticus subsp. SCSIO GJ056
Supporting Information Angucycline Glycosides from Mangrove-Derived Streptomyces diastaticus subsp. SCSIO GJ056 Chun Gui 1,2, Yena Liu 3, Zhenbin Zhou 1,2, Shanwen Zhang 1,2, Yunfeng Hu 1, Yu-Cheng Gu
Nanosheet-Constructed Porous BiOCl with Dominant {001} Facets for Superior Photosensitized Degradation
Electronic Supplementary Information Nanosheet-Constructed Porous BiOCl with Dominant {001} Facets for Superior Photosensitized Degradation Dong-Hong Wang, ab Gui-Qi Gao, b Yue-Wei Zhang, a Li-Sha Zhou,
SUPPLEMENTARY INFORMATION
Perovskite light-emitting diodes based on solution-processed self-organized multiple quantum wells Nana Wang 1*, Lu Cheng 1*, Rui Ge 1*, Shuting Zhang 1, Yanfeng Miao 1, Wei Zou 1, Chang Yi 1, Yan Sun
Pyridine-functionalized Fullerene Additive Enabling Coordination. Bulk Heterojunction Solar Cells
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2019 Electronic Supplemental Information for Pyridine-functionalized Fullerene
Supplementary Information
Supplementary Information Cytotoxicity, Hemolytic Toxicity and Mechanism of Action of Pulsatilla Saponin D and Its Synthetic Derivatives Zhong Chen a,b, Huaqing Duan a, Xiaohang Tong a, Peiling Hsu b,
Supporting Information
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2019 Supporting Information Difluorocarbene-derived trifluoromethylselenolation of benzyl halides Xin-Lei
Synthesis of homochiral zeolitic imidazolate frameworks via solvent-assisted linker exchange for enantioselective sensing and separation
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2018 Supporting Information Synthesis of homochiral zeolitic imidazolate frameworks via solvent-assisted
Supplementary Information
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2017 Supplementary Information Supramolecular interactions via hydrogen bonding contributing to
2008, hm 2. ( Commodity Bundle) [ 6], 25 4 Vol. 25 No JOURNAL OF NATURAL RESOURCES Apr., , 2, 3, 1, 2 3*,
![2008, hm 2. ( Commodity Bundle) [ 6], 25 4 Vol. 25 No JOURNAL OF NATURAL RESOURCES Apr., , 2, 3, 1, 2 3*,](/thumbs/93/112700429.jpg "2008, hm 2. ( Commodity Bundle) [ 6], 25 4 Vol. 25 No JOURNAL OF NATURAL RESOURCES Apr., , 2, 3, 1, 2 3*,")
25 4 Vol. 25 No. 4 2010 4 JOURNAL OF NATURAL RESOURCES Apr., 2010 1, 2, 3, 3*, 3, 3, 1, 2 ( 1., 100101; 2., 100049; 3., 100193) :,,,,, ;, 2005, 12 7 5, 2005 :,,, : ; ; ; ; : F301. 21 : A : 1000-3037( 2010)
Supporting information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C. This journal is The Royal Society of Chemistry 2017 Supporting information High-quality single-layer nanosheets of MS 2 (M=
School of Nuclear Science and Engineering, East China University of Technology,
Large-pore Layered Networks, Polycatenated Frameworks and Three-dimensional Frameworks of Uranyl Tri(biphenyl)amine/Tri(phenyl)amine Tricarboxylate: Solvent/Ligand-dependent Dual Regulation Shuai Wang,,,#
Supporting Information
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2018 Supporting Information In situ and real-time ToF-SIMS analysis of light-induced chemical changes
for highly efficient and stable corrosive-water evaporation
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2018 Electronic Supplementary Information Synthesis of mesoporous Fe 3 Si aerogel
Generation of Three-Dimensional Meteorological Field based on Sounding Data
Send Orders for Reprints to reprints@benthamscience.ae 186 The Open Cybernetics & Systemics Journal, 2015, 9, 186-198 Open Access Generation of Three-Dimensional Meteorological Field based on Sounding
Supporting Information. Ce 3+ -Doping to Modulate Photoluminescence Kinetics for Efficient CsPbBr 3 Nanocrystals Based Light-Emitting Diodes
Supporting Information Ce 3+ -Doping to Modulate Photoluminescence Kinetics for Efficient CsPbBr 3 Nanocrystals Based Light-Emitting Diodes Ji-Song Yao 1,2,, Jing Ge 1,3,, Bo-Ning Han 4, Kun-Hua Wang 1,2,
School of Physical Science and Technology, ShanghaiTech University, Shanghai
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 1 Facile Two-step thermal annealing of graphite oxide in air for graphene with a 2 higher C/O
Supplementary Information for
Supplementary Information for One-Nanometer-Thick PtNiRh Trimetallic Nanowires with Enhanced Oxygen Reduction Electrocatalysis in Acid Media: Integrating Multiple Advantages into One Catalyst Kan Li,,
Electronic Supplementary Information. Co-Assemblies of Polydiacetylenes and Metal Ions for Solvent Sensing
Electronic Supplementary Material (ESI) for Soft Matter. This journal is The Royal Society of Chemistry 2018 Electronic Supplementary Information Co-Assemblies of Polydiacetylenes and Metal Ions for Solvent
Supporting Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry B. This journal is The Royal Society of Chemistry 2018 Supporting Information Highly Photoluminescent Carbon Dots Derived from
First-Principles Study of Structure Sensitivity of Chain Growth and. Selectivity in Fischer-Tropsch Synthesis on HCP Cobalt Catalysts
Electronic Supplementary Material (ESI) for Catalysis Science & Technology. This journal is The Royal Society of Chemistry 2017 Supporting Information First-Principles Study of Structure Sensitivity of
Supporting Information. Design and synthesis of a novel colorimetric fluorescent probe for
Electronic upplementary Material (EI) for ew Journal of Chemistry. This journal is The Royal ociety of Chemistry and the Centre ational de la Recherche cientifique 2019 upporting Information Design and
Supporting Information. Pb 6 Ba 2 (BO 3 ) 5 X (X = Cl, Br): new borate halides with strong
Electronic Supplementary Material (ESI) for Dalton Transactions. This journal is The Royal Society of Chemistry 2015 Supporting Information Pb 6 Ba 2 (BO 3 ) 5 X (X = Cl, Br): new borate halides with strong
Supplementary Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2015 Supplementary Information Engineering the Intermediate Band States in Amorphous
Electronic supplementary information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2017 Electronic supplementary information Highly permeable zeolite imidazolate
Science and Technology, Dalian University of Technology, Dalian , P. R. China b
Electronic Supplementary Information for Fabrication of Superior-Performance SnO 2 @C Composites for Lithium-Ion Anodes Using Tubular Mesoporous Carbons with Thin Carbon Wall and High Pore Volume Fei Han,
New Journal of Chemistry
Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2016 New Journal of Chemistry Supporting
Supporting Information
Supporting Information Sulfonic groups originated dual-functional interlayer for high performance lithium-sulfur battery Yang Lu, a,b Sui Gu, a,b Jing Guo a,b, Kun Rui, a,b Chunhua Chen, c Sanpei Zhang,
Supporting Information
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 Supporting Information An Anode Buffer Layer with Size-Controlled Ag Nanoparticles for Polymer
Electronic Supplementary Information
Electronic Supplementary Information A Sensitive Phosphorescent Thiol Chemosensor Based on an Iridium(III) Complex with α,β-unsaturated Ketone Functionalized 2,2 -Bipyridyl Ligand Na Zhao, a Yu-Hui Wu,
Thickness-tunable Core-shell Nanoparticles Encapsulated in Sandwich-like Carbon
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2018 Supporting Information: Thickness-tunable Core-shell Co@Pt Nanoparticles
Sesquiterpenoids with PTP1B Inhibitory Activity and Cytotoxicity. from the Edible Mushroom Pleurotus citrinopileatus
Supporting Information Sesquiterpenoids with PTP1B Inhibitory Activity and Cytotoxicity from the Edible Mushroom Pleurotus citrinopileatus Qiao-Qiao Tao 1, 2*, Ke Ma 1*, Li Bao 1, Kai Wang 1, Jun-Jie Han
RSC Advances PAPER. On the properties and atmospheric implication of amine-hydrated clusters. 1. Introduction
PAPER Cite this: RSC Adv., 2015,5, 91500 Received 16th June 2015 Accepted 8th October 2015 DOI: 10.1039/c5ra11462d www.rsc.org/advances 1. Introduction Atmospheric aerosols are solid or liquid particles
Cloth for High-Efficient Electrocatalytic Urea Oxidation
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2018 Supporting Information In-situ Growth of Single-Layered α-ni(oh) 2 Nanosheets
University of Chinese Academy of Sciences, Beijing , People s Republic of China,
SiC 2 Siligraphene and Nanotubes: Novel Donor Materials in Excitonic Solar Cell Liu-Jiang Zhou,, Yong-Fan Zhang, Li-Ming Wu *, State Key Laboratory of Structural Chemistry, Fujian Institute of Research
Electronic Supplementary Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C. This journal is The Royal Society of Chemistry 2017 Electronic Supplementary Information Trifunctional NiO Ag NiO Electrodes
Supplementary Materials
Electronic Supplementary Material (ESI) for Nanoscale. This journal is The Royal Society of Chemistry 218 Supplementary Materials High-Performance Sub-1 nm Monolayer Bi 2 O 2 Se Transistors Ruge Quhe,
Facile synthesis of accordion-like Ni-MOF superstructure for highperformance
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2016 Supplementary Information Facile synthesis of accordion-like Ni-MOF superstructure
Supporting Infromation
Supporting Infromation Transparent and Flexible Self-Charging Power Film and Its Application in Sliding-Unlock System in Touchpad Technology Jianjun Luo 1,#, Wei Tang 1,#, Feng Ru Fan 1, Chaofeng Liu 1,
Journal of South China University of Technology Natural Science Edition
45 8 207 8 Journal of South China University of Technology Natural Science Edition Vol 45 No 8 August 207 000-565X20708-0050-07 2 3002202 54004 PERCLOS U49 doi0 3969 /j issn 000-565X 207 08 008 4-7 0 h
Investigation of the promotion effect of WO 3 on the decomposition and reactivity of NH 4 HSO 4 with NO on V 2 O 5 -WO 3 /TiO 2 SCR catalysts
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2016 Supporting information Investigation of the promotion effect of WO 3 on the decomposition and
Using Visible Laser Based Raman Spectroscopy to Identify the Surface Polarity of Silicon Carbide
Supporting Information for Using Visible Laser Based Raman Spectroscopy to Identify the Surface Polarity of Silicon Carbide Submitted by Yi-Chuan Tseng, a Yu-Chia Cheng, a Yang-Chun Lee, a Dai-Liang Ma,
Supporting Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2017 Supporting Information Ultrathin Petal-like NiAl Layered Double oxide/sulfide
Supporting Information
Supporting Information Synthesis of Robust MOF-derived Cu/SiO 2 Catalyst with Low Copper Loading via Sol-gel Method for the Dimethyl Oxalate Hydrogenation Reaction Run-Ping Ye,,, # Ling Lin, # Chong-Chong
Electronic Supplementary Information. Composite Gel Polymer Electrolyte for Lithium-sulfur
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2018 Electronic Supplementary Information Nano-SiO 2 Embedded Poly (propylene
Supporting Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2019 Supporting Information Mesoporous cobalt-iron-organic frameworks: plasma-enhanced
Kinetically-Enhanced Polysulfide Redox Reactions by Nb2O5. Nanocrystal for High-Rate Lithium Sulfur Battery
Electronic Supplementary Material (ESI) for Energy & Environmental Science. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) Kinetically-Enhanced Polysulfide
Supplementary data. Catalyst for Degradation of Organic Pollutants in Water
Electronic Supplementary Material (ESI) for Catalysis Science & Technology. This journal is The Royal Society of Chemistry 2014 Supplementary data Prussian Blue/TiO 2 Nanocomposites as a Heterogeneous
Electronic Supplementary Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2018 Electronic Supplementary Information Tunable Shape Memory Polymer Mold
Main controlling factors of hydrocarbon accumulation in Sujiatun oilfield of Lishu rift and its regularity in enrichment
35 3 2016 9 GLOBAL GEOLOGY Vol. 35 No. 3 Sept. 2016 1004 5589 2016 03 0785 05 130062 P618. 130. 2 A doi 10. 3969 /j. issn. 1004-5589. 2016. 03. 019 Main controlling factors of hydrocarbon accumulation
Supporting Information. Carbon nanofibers by pyrolysis of self-assembled perylene diimide derivative gels as supercapacitor electrode materials
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2015 Supporting Information Carbon nanofibers by pyrolysis of self-assembled
Case Doc 1059 Filed 11/26/18 Entered 11/26/18 11:05:25 Desc Main Document Page 1 of 9
Document Page 1 of 9 UNITED STATES BANKRUPTCY COURT DISTRICT OF MASSACHUSETTS ) In Re: ) ) Chapter 11 ) TELEXFREE, LLC, ) Case No. 14-40987-MSH TELEXFREE, INC., ) Case No. 14-40988-MSH TELEXFREE FINANCIAL,
A long-lived iridium(iii) chemosensor for the real-time
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry B. This journal is The Royal Society of Chemistry 2017 Supporting Information A long-lived iridium(iii) chemosensor for the real-time
SPIE Annual Reporting
HUAZHONG UNIVERSITY OF SCIENCE & TECHNOLOGY SPIE Annual Reporting Huazhong Univ. of Science and Technology Club June. 2017 2017 Chapter Officer President: Prof. Hongwei Han Email: hongwei.han@mail.hust.edu.cn
Supporting information for. Stacking dependent electronic structure and optical properties of bilayer. black phosphorus
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 016 Supporting information for Stacking dependent electronic structure and optical properties
Electronic Supplementary Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information Mesoporous C-coated SnO x nanosheets
High-performance Supercapacitors Based on Electrochemicalinduced. Vertical-aligned Carbon Nanotubes and Polyaniline
High-performance Supercapacitors Based on Electrochemicalinduced Vertical-aligned Carbon Nanotubes and Polyaniline Nanocomposite Electrodes Guan Wu 1, Pengfeng Tan 1, Dongxing Wang 2, Zhe Li 2, Lu Peng
Supporting Information (DFT Calculations) Pd-Catalyzed C-H Functionalization of Acyldiazomethane. and Tandem Cross-Coupling Reactions
Supporting Information (DFT Calculations) Pd-Catalyzed C-H Functionalization of Acyldiazomethane and Tandem Cross-Coupling Reactions Fei Ye,, Shuanglin Qu,, Lei Zhou,, Cheng Peng, Chengpeng Wang, Jiajia
frequency R 2 =0.99 y=1.01x modelled O 4 Correspondence to: Yang Wang y=1.02x-1.44
measured O 4 dscd [10 43 molecules 2 cm -5 ] measured NO 2 dscd [10 15 molecules cm -2 ] frequency Supplement for Vertical profiles of NO 2, SO 2, HONO, HCHO, CHOCHO, and aerosols derived from MAX-DOAS
The contribution of doped-al on the colossal permittivity properties of Al x Nb 0.03 Ti 0.97-x O 2 rutile ceramics
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C. This journal is The Royal Society of Chemistry 2016 The contribution of doped-al on the colossal permittivity properties of
Amphiphilic diselenide-containing supramolecular polymers
Electronic Supplementary Material (ESI) for Polymer Chemistry. This journal is The Royal Society of Chemistry 2014 Amphiphilic diselenide-containing supramolecular polymers Xinxin Tan, Liulin Yang, Zehuan
Supporting Information
Electronic Supplementary Material (ESI) for Green Chemistry. This journal is The Royal Society of Chemistry 2019 Supporting Information Atomically dispersed Ni as the active site towards selective hydrogenation
The impact of metal ions on photoinduced electron-transfer. properties: four photochromic metal-organic frameworks
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2018 Supporting Information The impact of metal ions on photoinduced electron-transfer properties:
Spatiotemporal-Resolved Nanoparticle Synthesis via Simple
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 014 Supporting Information for Spatiotemporal-Resolved Nanoparticle Synthesis via Simple Programmed
Supplementary Information
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 Supplementary Information Mechanistic Study of Hydrolytic Degradation and Protonation of Temozolomide
Electronic Supplementary Information
Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017 Electronic Supplementary Information
CURRICULUM VITAE. Jie Du
CURRICULUM VITAE Jie Du Yau Mathematical Sciences Center Tsinghua University Beijing 100084, P.R. China Office: Room 135, Jin Chun Yuan West Building E-mail: jdu@tsinghua.edu.cn Education joint Ph.D. student,
A Novel Fluorescent Chemosensor Based on Tetra-peptide for Measuring Zinc Ions in Aqueous Solutions and Live Cells
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry B. Electronic Supplementary Material (ESI) for Journal of Materials Chemistry B. Supporting Information A Novel Fluorescent Chemosensor
Perovskite Solar Cells Powered Electrochromic Batteries for Smart. Windows
Electronic Supplementary Material (ESI) for Materials Horizons. This journal is The Royal Society of Chemistry 2016 Supporting Information for Perovskite Solar Cells Powered Electrochromic Batteries for
High efficiency MAPbI3-xClx perovskite solar cell via interfacial passivation
Electronic Supplementary Material (ESI) for Nanoscale. This journal is The Royal Society of Chemistry 2018 Supporting Information High efficiency MAPbI3-xClx perovskite solar cell via interfacial passivation
Supplementary Information
Electronic Supplementary Material (ESI) for Nanoscale. This journal is The Royal Society of Chemistry 2014 Supplementary Information Highly efficient and recyclable triple-shelled Ag@Fe 3 O 4 @SiO 2 @TiO
Electronic Supplementary Information
Electronic Supplementary Information Effect of polymer chain conformation on field-effect transistor performance: synthesis and properties of two arylene imide based D-A copolymers Dugang Chen, a Yan Zhao,
Trifunctional Ni-N/P-O-codoped graphene electrocatalyst enables
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2019 Supporting Information Trifunctional Ni-N/P-O-codoped graphene electrocatalyst
Supporting Information
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2014 Supporting Information Controllable Atmospheric Pressure Growth of Mono-layer, Bi-layer and Tri-layer
Unexpected effects of Zr-doping in the high performance sodium manganese-based layer-tunnel cathode
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2018 Electronic Supplementary Information Unexpected effects of Zr-doping in
Unraveling Surface Plasmon Decay in Core Shell Nanostructures towards Broadband Light-Driven Catalytic Organic Synthesis
Supporting Information Unraveling Surface Plasmon Decay in Core Shell Nanostructures towards Broadband Light-Driven Catalytic Organic Synthesis Hao Huang,, Lei Zhang,, Zhiheng Lv, Ran Long, Chao Zhang,
graphene oxide as robust platform for highly sensitive uric acid detection
Electronic Supplementary Material (ESI) for Nanoscale. This journal is The Royal Society of Chemistry 2017 Supporting Information CeO 2-x /C/rGO nanocomposites derived from Ce-MOF and graphene oxide as
Ж У Р Н А Л С Т Р У К Т У Р Н О Й Х И М И И Том 50, 5 Сентябрь октябрь С
Ж У Р Н А Л С Т Р У К Т У Р Н О Й Х И М И И 2009. Том 50, 5 Сентябрь октябрь С. 873 877 UDK 539.27 STRUCTURAL STUDIES OF L-SERYL-L-HISTIDINE DIPEPTIDE BY MEANS OF MOLECULAR MODELING, DFT AND 1 H NMR SPECTROSCOPY
Enhanced photocurrent of ZnO nanorods array sensitized with graphene. quantum dots
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 Enhanced photocurrent of ZnO nanorods array sensitized with graphene quantum dots Bingjun Yang,
National Engineering Research Center of Industry Crystallization Technology, School
Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2018 Supporting Information Insight into the Role of Piperazine in the Thermodynamics and Nucleation
Structure stability and magnetic properties of Os n B(n = 11 20) clusters
Bull. Mater. Sci., Vol. 38, No. 2, April 2015, pp. 425 434. c Indian Academy of Sciences. Structure stability and magnetic properties of Os n B(n = 11 20) clusters XIU-RONG ZHANG 1,, MINLUO 2, FU-XING
Supporting information
Electronic Supplementary Material (ESI) for ChemComm. This journal is The Royal Society of Chemistry 2018 Supporting information Self-Supported Three-dimensional Cu/Cu 2 O-CuO/rGO Nanowire Arrays Electrode
General Synthesis of Graphene-Supported. Bicomponent Metal Monoxides as Alternative High- Performance Li-Ion Anodes to Binary Spinel Oxides
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information (ESI) General Synthesis of Graphene-Supported
The Edge Termination Controlled Kinetics in Graphene. Chemical Vapor Deposition Growth
Electronic Supplementary Material (ESI) for Chemical Science. This journal is The Royal Society of Chemistry 2014 Electronic supplementary information The Edge Termination Controlled Kinetics in Graphene
Supporting Information. Copyright Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008
Supporting Information Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2008 Highly Sensitive and Fast Responsive Fluorescence Turn-on Chemodosimeter for Cu 2+ and its Application in Live Cell
Supporting Information
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2017 Supporting Information Stacking Up Layers of Polyaniline/Carbon Nanotube
The morphology of PVDF/1Gra and PVDF/1IL/1Gra was investigated by field emission scanning
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 1. Morphology The morphology of PVDF/1Gra and PVDF/1IL/1Gra was investigated by field emission