Zesheng Li

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7750

Citations
39

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1988 …2024

Research activity per year

509 Article
14 Conference contribution
3 Review article
1 Comment/debate

100 - 150 out of 527 results

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 Nov 2016, In: Organic Electronics. 38, p. 384-395 12 p.
Research output: Contribution to journal › Article › peer-review
6 Citations (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., Sept 2016, In: PLoS ONE. 11, 9, e0162729.
Research output: Contribution to journal › Article › peer-review

Open Access
16 Citations (Scopus)
Citations
Citation Indexes: 16
Captures
Readers: 23
Social Media
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 Jan 2016, In: Industrial and Engineering Chemistry Research. 55, 2, p. 455-462 8 p.
Research output: Contribution to journal › Article › peer-review
13 Citations (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, In: Physical Chemistry Chemical Physics. 18, 21, p. 14408-14418 11 p.
Research output: Contribution to journal › Article › peer-review
82 Citations (Scopus)
Citations
Citation Indexes: 82
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 Apr 2016, In: Journal of Materials Chemistry C. 4, 14, p. 2802-2810 9 p.
Research output: Contribution to journal › Article › peer-review
143 Citations (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 Jun 2016, In: Theoretical Chemistry Accounts. 135, 6, 145.
Research output: Contribution to journal › Article › peer-review
3 Citations (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, In: RSC Advances. 6, 53, p. 47607-47615 9 p.
Research output: Contribution to journal › Article › peer-review
23 Citations (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 Jan 2016, In: Nanoscale. 8, 3, p. 1503-1512 10 p.
Research output: Contribution to journal › Article › peer-review
304 Citations (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, In: RSC Advances. 6, 14, p. 11618-11630 13 p.
Research output: Contribution to journal › Article › peer-review
10 Citations (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 Aug 2015, In: Journal of Materials Chemistry A. 3, 39, p. 19948-19959 12 p.
Research output: Contribution to journal › Article › peer-review
16 Citations (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 Feb 2015, In: ChemPhysChem. 16, 3, p. 601-606 6 p.
Research output: Contribution to journal › Article › peer-review
12 Citations (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 Nov 2015, In: Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities. 36, 11, p. 2189-2197 9 p.
Research output: Contribution to journal › Article › peer-review
1 Citation (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 Oct 2015, In: ACS applied materials & interfaces. 7, 40, p. 22504-22514 11 p.
Research output: Contribution to journal › Article › peer-review
42 Citations (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 Apr 2015, In: Journal of Physical Chemistry C. 119, 16, p. 8284-8590 307 p.
Research output: Contribution to journal › Article › peer-review
37 Citations (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 Jun 2015, In: Journal of Power Sources. 294, p. 264-271 8 p.
Research output: Contribution to journal › Article › peer-review
13 Citations (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 Apr 2015, In: Journal of Materials Chemistry A. 3, 16, p. 8308-8315 8 p.
Research output: Contribution to journal › Article › peer-review
17 Citations (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 Jan 2015, In: Journal of Power Sources. 273, p. 282-289 8 p.
Research output: Contribution to journal › Article › peer-review
43 Citations (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, In: RSC Advances. 5, 48, p. 38048-38055 8 p.
Research output: Contribution to journal › Article › peer-review
34 Citations (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 Dec 2015, In: Comptes Rendus Chimie. 18, 12, p. 1270-1276 7 p.
Research output: Contribution to journal › Article › peer-review

Open Access
15 Citations (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, In: RSC Advances. 5, 32, p. 25079-25088 10 p.
Research output: Contribution to journal › Article › peer-review
28 Citations (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 Feb 2015, In: Journal of Power Sources. 276, p. 230-237 8 p.
Research output: Contribution to journal › Article › peer-review
24 Citations (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 Jul 2015, In: PLoS ONE. 10, 7, e0133259.
Research output: Contribution to journal › Article › peer-review

Open Access
27 Citations (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 Jun 2015, In: Computational and Theoretical Chemistry. 1062, p. 99-104 6 p.
Research output: Contribution to journal › Article › peer-review
21 Citations (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, In: RSC Advances. 5, 10, p. 7766-7772 7 p.
Research output: Contribution to journal › Article › peer-review
15 Citations (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., Feb 2015, In: Physical Chemistry Chemical Physics. 17, 8, p. 5991-5998 8 p.
Research output: Contribution to journal › Article › peer-review
86 Citations (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 Jan 2014, In: Dalton Transactions. 43, 3, p. 973-981 9 p.
Research output: Contribution to journal › Article › peer-review
25 Citations (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 Feb 2014, In: Journal of Materials Chemistry C. 2, 8, p. 1447-1456 10 p.
Research output: Contribution to journal › Article › peer-review
22 Citations (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, In: Computational Materials Science. 82, p. 70-75 6 p.
Research output: Contribution to journal › Article › peer-review
35 Citations (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 Feb 2014, In: ChemPhysChem. 15, 3, p. 458-466 9 p.
Research output: Contribution to journal › Article › peer-review
13 Citations (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, In: Journal of Power Sources. 246, p. 10-18 9 p.
Research output: Contribution to journal › Article › peer-review
15 Citations (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, In: RSC Advances. 4, 60, p. 31544-31551 8 p.
Research output: Contribution to journal › Article › peer-review
25 Citations (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, In: Current Topics in Medicinal Chemistry. 14, 1, p. 51-63 13 p.
Research output: Contribution to journal › Review article › peer-review
7 Citations (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, In: RSC Advances. 4, 39, p. 20200-20207 8 p.
Research output: Contribution to journal › Article › peer-review
33 Citations (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 Sept 2014, In: Physical Chemistry Chemical Physics. 16, 39, p. 21827-21837 11 p.
Research output: Contribution to journal › Article › peer-review
21 Citations (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., Feb 2014, In: Theoretical Chemistry Accounts. 133, 2, p. 1-8 8 p., 1437.
Research output: Contribution to journal › Article › peer-review
14 Citations (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., Apr 2014, In: Journal of Molecular Modeling. 20, 4, 2211.
Research output: Contribution to journal › Article › peer-review
14 Citations (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 Dec 2014, In: Journal of Power Sources. 268, p. 137-145 9 p.
Research output: Contribution to journal › Article › peer-review
23 Citations (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 Jun 2013, In: ChemPhysChem. 14, 9, p. 1969-1976 8 p.
Research output: Contribution to journal › Article › peer-review
8 Citations (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 Mar 2013, In: Journal of Colloid and Interface Science. 393, 1, p. 340-346 7 p.
Research output: Contribution to journal › Article › peer-review
8 Citations (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), p. ASa3A.25 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Captures
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), p. ASa3A.29 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Captures
Readers: 2
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Crystal packing and charge transport in single crystals of chrysene derivatives: Impact of halogenation
Nan, G. & Li, Z., Feb 2013, In: Science China Chemistry. 56, 2, p. 210-221 12 p.
Research output: Contribution to journal › Article › peer-review
2 Citations (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), p. ASa3A.22 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Captures
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), p. ASa3A.06 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
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), p. ASa3A.19 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Captures
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 Feb 2013, In: Journal of Power Sources. 223, p. 86-93 8 p.
Research output: Contribution to journal › Article › peer-review
101 Citations (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. p. ASa3A.03 (Advanced Optoelectronics for Energy and Environment, AOEE 2013).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
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., Oct 2013, In: Journal of Molecular Modeling. 19, 10, p. 4477-4485 9 p.
Research output: Contribution to journal › Article › peer-review
27 Citations (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., Dec 2013, In: Journal of Molecular Modeling. 19, 12, p. 5429-5438 10 p.
Research output: Contribution to journal › Article › peer-review
31 Citations (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., Aug 2013, In: Journal of Molecular Modeling. 19, 8, p. 3035-3044 10 p.
Research output: Contribution to journal › Article › peer-review
16 Citations (Scopus)
Citations
Citation Indexes: 16
Captures
Readers: 5
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Zesheng Li

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