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2016
Influence of oligothiophene-functionalized co-sensitizer on the electron injection efficiency for multiple dye-TiO₂ interface
Ding, W. L., Peng, X. L. & Li, Z. S., 1 11月 2016, 在: Organic Electronics. 38, 页码 384-395 12 页码
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6 引用（Scopus）
Citations
Citation Indexes: 6
Captures
Readers: 6
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Kinetic reaction mechanism of sinapic acid scavenging NO2 and OH Radicals: A theoretical study
Lu, Y., Wang, A. H., Shi, P., Zhang, H. & Li, Z. S., 9月 2016, 在: PLoS ONE. 11, 9, e0162729.
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16 引用（Scopus）
Citations
Citation Indexes: 16
Captures
Readers: 23
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Shares, Likes & Comments: 2
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Metal-Embedded Graphene as Potential Counter Electrode for Dye-Sensitized Solar Cell
Liu, Q., Li, Z. S. & Chen, S. L., 20 1月 2016, 在: Industrial and Engineering Chemistry Research. 55, 2, 页码 455-462 8 页码
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13 引用（Scopus）
Citations
Citation Indexes: 13
Captures
Readers: 20
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Mixed Ge/Pb perovskite light absorbers with an ascendant efficiency explored from theoretical view
Sun, P. P., Li, Q. S., Feng, S. & Li, Z. S., 2016, 在: Physical Chemistry Chemical Physics. 18, 21, 页码 14408-14418 11 页码
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81 引用（Scopus）
Citations
Citation Indexes: 81
Captures
Readers: 79
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Restricted access to a conical intersection to explain aggregation induced emission in dimethyl tetraphenylsilole
Peng, X. L., Ruiz-Barragan, S., Li, Z. S., Li, Q. S. & Blancafort, L., 14 4月 2016, 在: Journal of Materials Chemistry C. 4, 14, 页码 2802-2810 9 页码
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143 引用（Scopus）
Citations
Citation Indexes: 144
Captures
Readers: 70
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Substituent effects on the properties related to detonation performance and stability for pentaprismane derivatives
Chi, W. J., Guo, Y. Y., Li, Q. S. & Li, Z. S., 1 6月 2016, 在: Theoretical Chemistry Accounts. 135, 6, 145.
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3 引用（Scopus）
Citations
Citation Indexes: 3
Captures
Readers: 8
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Theoretical design of highly energetic poly-nitro cage compounds
Tian, M., Chi, W. J., Li, Q. S. & Li, Z. S., 2016, 在: RSC Advances. 6, 53, 页码 47607-47615 9 页码
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23 引用（Scopus）
Citations
Citation Indexes: 23
Captures
Readers: 12
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Theoretical insights into a potential lead-free hybrid perovskite: Substituting Pb²⁺ with Ge²⁺
Sun, P. P., Li, Q. S., Yang, L. N. & Li, Z. S., 21 1月 2016, 在: Nanoscale. 8, 3, 页码 1503-1512 10 页码
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304 引用（Scopus）
Citations
Citation Indexes: 302
Captures
Readers: 230
Mentions
News Mentions: 1
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Theoretical study on the tailored side-chain architecture of benzil-like voltage stabilizers for enhanced dielectric strength of cross-linked polyethylene
Zhang, H., Shang, Y., Zhao, H., Wang, X., Han, B. & Li, Z., 2016, 在: RSC Advances. 6, 14, 页码 11618-11630 13 页码
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10 引用（Scopus）
Citations
Citation Indexes: 10
Captures
Readers: 8
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2015
Anti-aggregation and intra-type Förster resonance energy transfer in bulky indoline sensitizers for dye-sensitized solar cells: A combined DFT/TDDFT and molecular dynamics study
Ding, W. L., Li, Q. S. & Li, Z. S., 24 8月 2015, 在: Journal of Materials Chemistry A. 3, 39, 页码 19948-19959 12 页码
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16 引用（Scopus）
Citations
Citation Indexes: 16
Captures
Readers: 13
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A Promising Candidate with D-A-A-A architecture as an efficient sensitizer for dye-densitized solar cells
Yang, L. N., Zhou, H. Y., Sun, P. P., Chen, S. L. & Li, Z. S., 23 2月 2015, 在: ChemPhysChem. 16, 3, 页码 601-606 6 页码
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12 引用（Scopus）
Citations
Citation Indexes: 12
Captures
Readers: 13
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Computational studies on energetic performance of polynitro-substituted uric acid derivatives
Chi, W., Tian, M., Li, Q. & Li, Z., 1 11月 2015, 在: Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities. 36, 11, 页码 2189-2197 9 页码
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1 引用（Scopus）
Citations
Citation Indexes: 1
Captures
Readers: 4
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Dynamic Characteristics of Aggregation Effects of Organic Dyes in Dye-Sensitized Solar Cells
Feng, S., Li, Q. S., Sun, P. P., Niehaus, T. A. & Li, Z. S., 14 10月 2015, 在: ACS applied materials & interfaces. 7, 40, 页码 22504-22514 11 页码
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42 引用（Scopus）
Citations
Citation Indexes: 42
Captures
Readers: 38
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Effects of molecular configuration on charge diffusion kinetics within hole-transporting materials for perovskites solar cells
Chi, W. J., Li, Q. S. & Li, Z. S., 23 4月 2015, 在: Journal of Physical Chemistry C. 119, 16, 页码 8284-8590 307 页码
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37 引用（Scopus）
Citations
Citation Indexes: 37
Captures
Readers: 59
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Exploring the regeneration process of ruthenium(II) dyes by cobalt mediator in dye-sensitized solar cells from first-principle calculations
Sun, Z. Z., Li, Q. S., Zhang, M. & Li, Z. S., 22 6月 2015, 在: Journal of Power Sources. 294, 页码 264-271 8 页码
科研成果: 期刊稿件 › 文章 › 同行评审
13 引用（Scopus）
Citations
Citation Indexes: 13
Captures
Readers: 15
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How does the silicon element perform in JD-dyes: A theoretical investigation
Yang, L. N., Chen, S. L. & Li, Z. S., 28 4月 2015, 在: Journal of Materials Chemistry A. 3, 16, 页码 8308-8315 8 页码
科研成果: 期刊稿件 › 文章 › 同行评审
17 引用（Scopus）
Citations
Citation Indexes: 17
Captures
Readers: 3
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Insights into aggregation effects on optical property and electronic coupling of organic dyes in dye sensitized solar cells
Feng, S., Li, Q. S., Yang, L. N., Sun, Z. Z., Niehaus, T. A. & Li, Z. S., 1 1月 2015, 在: Journal of Power Sources. 273, 页码 282-289 8 页码
科研成果: 期刊稿件 › 文章 › 同行评审
43 引用（Scopus）
Citations
Citation Indexes: 43
Captures
Readers: 40
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Molecular design of N-NO₂ substituted cycloalkanes derivatives C_m(N-NO₂)_m for energetic materials with high detonation performance and low impact sensitivity
Guo, Y. Y., Chi, W. J., Li, Z. S. & Li, Q. S., 2015, 在: RSC Advances. 5, 48, 页码 38048-38055 8 页码
科研成果: 期刊稿件 › 文章 › 同行评审
34 引用（Scopus）
Citations
Citation Indexes: 33
Captures
Readers: 15
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Molecular design of prismane-based potential energetic materials with high detonation performance and low impact sensitivity
Chi, W. J. & Li, Z. S., 1 12月 2015, 在: Comptes Rendus Chimie. 18, 12, 页码 1270-1276 7 页码
科研成果: 期刊稿件 › 文章 › 同行评审

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15 引用（Scopus）
Citations
Citation Indexes: 15
Captures
Readers: 11
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Molecular engineering of quinoxaline dyes toward more efficient sensitizers for dye-sensitized solar cells
Yang, L. N., Li, S. C., Li, Z. S. & Li, Q. S., 2015, 在: RSC Advances. 5, 32, 页码 25079-25088 10 页码
科研成果: 期刊稿件 › 文章 › 同行评审
28 引用（Scopus）
Citations
Citation Indexes: 28
Captures
Readers: 19
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Probing the regeneration process of triphenylamine-based organic dyes in dye-sensitized solar cells
Sun, Z. Z., Li, Q. S., Sun, P. P. & Li, Z. S., 15 2月 2015, 在: Journal of Power Sources. 276, 页码 230-237 8 页码
科研成果: 期刊稿件 › 文章 › 同行评审
24 引用（Scopus）
Citations
Citation Indexes: 24
Captures
Readers: 15
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Quantum chemical study on the antioxidation mechanism of piceatannol and isorhapontigenin toward hydroxyl and hydroperoxyl radicals
Lu, Y., Wang, A., Shi, P., Zhang, H. & Li, Z., 15 7月 2015, 在: PLoS ONE. 10, 7, e0133259.
科研成果: 期刊稿件 › 文章 › 同行评审

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27 引用（Scopus）
Citations
Citation Indexes: 27
Captures
Readers: 22
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Study of the effect of valence bond isomerizations on electrical breakdown by adding acetophenone to polyethylene as voltage stabilizers
Zhang, H., Shang, Y., Zhao, H., Han, B. & Li, Z., 5 6月 2015, 在: Computational and Theoretical Chemistry. 1062, 页码 99-104 6 页码
科研成果: 期刊稿件 › 文章 › 同行评审
21 引用（Scopus）
Citations
Citation Indexes: 21
Captures
Readers: 5
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Theoretical prediction of detonation performance and stability for energetic polydinitroaminoprismanes
Chi, W. & Li, Z., 2015, 在: RSC Advances. 5, 10, 页码 7766-7772 7 页码
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15 引用（Scopus）
Citations
Citation Indexes: 15
Captures
Readers: 11
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The theoretical investigation on the 4-(4-phenyl-4-α-naphthylbutadieny)-triphenylamine derivatives as hole transporting materials for perovskite-type solar cells
Chi, W. J. & Li, Z. S., 2月 2015, 在: Physical Chemistry Chemical Physics. 17, 8, 页码 5991-5998 8 页码
科研成果: 期刊稿件 › 文章 › 同行评审
86 引用（Scopus）
Citations
Citation Indexes: 86
Captures
Readers: 67
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2014
A dominant homolytic O-Cl bond cleavage with low-spin triplet-state Fe(IV)=O formed is revealed in the mechanism of heme-dependent chlorite dismutase
Sun, S., Li, Z. S. & Chen, S. L., 21 1月 2014, 在: Dalton Transactions. 43, 3, 页码 973-981 9 页码
科研成果: 期刊稿件 › 文章 › 同行评审
24 引用（Scopus）
Citations
Citation Indexes: 24
Captures
Readers: 32
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Crystal structure versus charge transport in organic single crystals of [1]benzothieno[3,2-b][1]benzothiophene derivatives from a multiscale theoretical study
Nan, G. & Li, Z., 28 2月 2014, 在: Journal of Materials Chemistry C. 2, 8, 页码 1447-1456 10 页码
科研成果: 期刊稿件 › 文章 › 同行评审
22 引用（Scopus）
Citations
Citation Indexes: 22
Captures
Readers: 44
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First-principles study of electronic structure and optical properties of (Zr-Al)-codoped ZnO
Luo, J. H., Liu, Q., Yang, L. N., Sun, Z. Z. & Li, Z. S., 2014, 在: Computational Materials Science. 82, 页码 70-75 6 页码
科研成果: 期刊稿件 › 文章 › 同行评审
35 引用（Scopus）
Citations
Citation Indexes: 34
Captures
Readers: 27
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Iodinated Al^III-based phthalocyanines are promising sensitizers for dye-sensitized solar cells; A theoretical comparison between Zn ^II, Mg^II, and Al^III-based phthalocyanine sensitizers
Yang, L. N., Sun, Z. Z., Chen, S. L. & Li, Z. S., 24 2月 2014, 在: ChemPhysChem. 15, 3, 页码 458-466 9 页码
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13 引用（Scopus）
Citations
Citation Indexes: 13
Captures
Readers: 17
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Periodic density functional theory study on the interaction mode and mechanism of typical additives with TiO₂ substrates for dye-sensitized solar cell applications
Wang, X. L., Wu, M., Ding, J., Li, Z. S. & Sun, K. N., 2014, 在: Journal of Power Sources. 246, 页码 10-18 9 页码
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15 引用（Scopus）
Citations
Citation Indexes: 15
Captures
Readers: 24
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Rational design of Co-based redox mediators for dye-sensitized solar cells by density functional theory
Sun, Z. Z., Zheng, K. M., Li, Q. S. & Li, Z. S., 2014, 在: RSC Advances. 4, 60, 页码 31544-31551 8 页码
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25 引用（Scopus）
Citations
Citation Indexes: 25
Captures
Readers: 27
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Structure-and-mechanism-based design and discovery of type II Mycobacterium Tuberculosis dehydroquinate dehydratase inhibitors
Yao, Y. & Li, Z. S., 2014, 在: Current Topics in Medicinal Chemistry. 14, 1, 页码 51-63 13 页码
科研成果: 期刊稿件 › 文献综述 › 同行评审
7 引用（Scopus）
Citations
Citation Indexes: 7
Captures
Readers: 19
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Theoretical design of porphyrazine derivatives as promising sensitizers for dye-sensitized solar cells
Luo, J. H., Li, Q. S., Yang, L. N., Sun, Z. Z. & Li, Z. S., 2014, 在: RSC Advances. 4, 39, 页码 20200-20207 8 页码
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33 引用（Scopus）
Citations
Citation Indexes: 33
Captures
Readers: 31
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Theoretical investigation on structural and electronic properties of organic dye C258 on TiO₂(101) surface in dye-sensitized solar cells
Sun, P. P., Li, Q. S., Yang, L. N., Sun, Z. Z. & Li, Z. S., 17 9月 2014, 在: Physical Chemistry Chemical Physics. 16, 39, 页码 21827-21837 11 页码
科研成果: 期刊稿件 › 文章 › 同行评审
21 引用（Scopus）
Citations
Citation Indexes: 22
Captures
Readers: 28
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Theoretical study on the adsorption mechanism of iodine molecule on platinum surface in dye-sensitized solar cells
Liu, Q., Li, Q. S., Lu, G. Q., Luo, J. H., Yang, L. N., Chen, S. L. & Li, Z. S., 2月 2014, 在: Theoretical Chemistry Accounts. 133, 2, 页码 1-8 8 页码, 1437.
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14 引用（Scopus）
Citations
Citation Indexes: 14
Captures
Readers: 17
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Theoretical study on the mechanisms of polyethylene electrical breakdown strength increment by the addition of voltage stabilizers
Zhang, H., Zhao, H., Wang, X., Shang, Y., Han, B. & Li, Z., 4月 2014, 在: Journal of Molecular Modeling. 20, 4, 2211.
科研成果: 期刊稿件 › 文章 › 同行评审
14 引用（Scopus）
Citations
Citation Indexes: 14
Captures
Readers: 14
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Unsymmetrical squaraine dye containing dithieno[3,2-b:2′,3′-d] pyrrole as a π-spacer: A potential photosensitizer for dye-sensitized solar cells
Yang, L. N., Sun, Z. Z., Li, Q. S., Chen, S. L., Li, Z. S. & Niehaus, T. A., 15 12月 2014, 在: Journal of Power Sources. 268, 页码 137-145 9 页码
科研成果: 期刊稿件 › 文章 › 同行评审
23 引用（Scopus）
Citations
Citation Indexes: 23
Captures
Readers: 27
Social Media
Shares, Likes & Comments: 12
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2013
Adsorption of water on an MgSO₄(100) surface: A first-principles investigation
Luo, J. H., Zhang, Y. H. & Li, Z. S., 24 6月 2013, 在: ChemPhysChem. 14, 9, 页码 1969-1976 8 页码
科研成果: 期刊稿件 › 文章 › 同行评审
8 引用（Scopus）
Citations
Citation Indexes: 8
Captures
Readers: 13
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Adsorption of water on NaNO₃(001) surface from first-principles calculations
Luo, J. H., Hu, A. M., Wang, X. L., Zhang, Y. H. & Li, Z. S., 1 3月 2013, 在: Journal of Colloid and Interface Science. 393, 1, 页码 340-346 7 页码
科研成果: 期刊稿件 › 文章 › 同行评审
8 引用（Scopus）
Citations
Citation Indexes: 8
Captures
Readers: 6
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Computational study of the chlorite dismutase
Sun, S., Chen, S. L. & Li, Z. S., 2013, Advanced Optoelectronics for Energy and Environment, AOEE 2013. Optical Society of America (OSA), 页码 ASa3A.25 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
科研成果: 书/报告/会议事项章节 › 会议稿件 › 同行评审
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Readers: 5
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Computational study of the properties of various redox electrolytes for dye sensitized solar cells
Zheng, K. & Li, Z. S., 2013, Advanced Optoelectronics for Energy and Environment, AOEE 2013. Optical Society of America (OSA), 页码 ASa3A.29 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
科研成果: 书/报告/会议事项章节 › 会议稿件 › 同行评审
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Readers: 2
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Crystal packing and charge transport in single crystals of chrysene derivatives: Impact of halogenation
Nan, G. & Li, Z., 2月 2013, 在: Science China Chemistry. 56, 2, 页码 210-221 12 页码
科研成果: 期刊稿件 › 文章 › 同行评审
2 引用（Scopus）
Citations
Citation Indexes: 2
Captures
Readers: 7
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Dye aggregates on TiO₂ surface in DSSCs: A DFT study
Feng, S. & Li, Z. S., 2013, Advanced Optoelectronics for Energy and Environment, AOEE 2013. Optical Society of America (OSA), 页码 ASa3A.22 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
科研成果: 书/报告/会议事项章节 › 会议稿件 › 同行评审
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Readers: 3
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First-principles study of electronic structure and optical properties of (Zr-Al) codoped ZnO
Luo, J. H. & Li, Z. S., 2013, Advanced Optoelectronics for Energy and Environment, AOEE 2013. Optical Society of America (OSA), 页码 ASa3A.06 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
科研成果: 书/报告/会议事项章节 › 会议稿件 › 同行评审
Captures
Readers: 1
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How to design more efficient organic dyes for dye-sensitized solar cells? Adding more sp²-hybridized nitrogen in the triphenylamine donor
Chen, S. L., Yang, L. N. & Li, Z. S., 2013, Advanced Optoelectronics for Energy and Environment, AOEE 2013. Optical Society of America (OSA), 页码 ASa3A.19 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
科研成果: 书/报告/会议事项章节 › 会议稿件 › 同行评审
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Readers: 1
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How to design more efficient organic dyes for dye-sensitized solar cells? Adding more sp ²-hybridized nitrogen in the triphenylamine donor
Chen, S. L., Yang, L. N. & Li, Z. S., 1 2月 2013, 在: Journal of Power Sources. 223, 页码 86-93 8 页码
科研成果: 期刊稿件 › 文章 › 同行评审
101 引用（Scopus）
Citations
Citation Indexes: 99
Captures
Readers: 46
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Iodine chemisorbed on Pt(111): A DFT study
Liu, Q. & Li, Z. S., 2013, Advanced Optoelectronics for Energy and Environment, AOEE 2013. 页码 ASa3A.03 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
科研成果: 书/报告/会议事项章节 › 会议稿件 › 同行评审
Mechanisms on electrical breakdown strength increment of polyethylene by acetophenone and its analogues addition: A theoretical study
Zhang, H., Shang, Y., Zhao, H., Han, B. & Li, Z., 10月 2013, 在: Journal of Molecular Modeling. 19, 10, 页码 4477-4485 9 页码
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27 引用（Scopus）
Citations
Citation Indexes: 27
Captures
Readers: 6
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Mechanisms on electrical breakdown strength increment of polyethylene by aromatic carbonyl compounds addition: A theoretical study
Zhang, H., Shang, Y., Wang, X., Zhao, H., Han, B. & Li, Z., 12月 2013, 在: Journal of Molecular Modeling. 19, 12, 页码 5429-5438 10 页码
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31 引用（Scopus）
Citations
Citation Indexes: 31
Patent Family Citations: 1
Captures
Readers: 23
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Mechanisms on inhibition of polyethylene electrical tree aging: A theoretical study
Zhang, H., Shang, Y., Zhao, H., Han, B. & Li, Z., 8月 2013, 在: Journal of Molecular Modeling. 19, 8, 页码 3035-3044 10 页码
科研成果: 期刊稿件 › 文章 › 同行评审
16 引用（Scopus）
Citations
Citation Indexes: 16
Captures
Readers: 5
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