基本信息
朱凌云  女  博导  国家纳米科学中心
电子邮件: zhuly@nanoctr.cn
通信地址: 北京市海淀区中关村北一条11号
邮政编码:

招生信息

   
招生专业
070304-物理化学
招生方向
理论与计算化学
有机光电功能材料的理论研究

教育背景

2005-09--2008-06   中国科学院化学研究所   博士
2001-09--2004-06   山东师范大学   硕士
1997-09--2001-06   山东师范大学   学士

工作经历

   
工作简历
2022-04~现在, 国家纳米科学中心, 研究员
2013-04~2021-03,国家纳米科学中心, 副研究员
2008-08~2013-11,美国佐治亚理工大学化学系, 博士后
2005-09~2008-06,中国科学院化学研究所, 博士
2001-09~2004-06,山东师范大学, 硕士
1997-09~2001-06,山东师范大学, 学士

出版信息

   
发表论文
(1) Exciton Binding Energies in Organic Photovoltaic Materials: A Theoretical Perspective, Journal of Physical Chemistry C, 2022, 
(2) Tempura-like carbon/carbon composite as advanced anode materials for K-ion batteries, JOURNAL OF ENERGY CHEMISTRY, 2021, 
(3) Small Exciton Binding Energies Enabling Direct Charge Photogeneration Towards Low-Driving-Force Organic Solar Cells, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 第 1 作者
(4) Polymorph and anisotropic Raman spectroscopy of Phz-H(2)ca cocrystals, SCIENCE CHINA-MATERIALS, 2021, 第 4 作者
(5) Regioregular narrow bandgap copolymer with strong aggregation ability for high-performance semitransparent photovoltaics, NANO ENERGY, 2021, 第 3 作者
(6) 1D Mixed-Stack Cocrystals Based on Perylene Diimide toward Ambipolar Charge Transport, SMALL, 2021, 第 4 作者
(7) Effective Modulation of Exciton Binding Energies in Polymorphs of a Small-Molecule Acceptor for Organic Photovoltaics, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 第 1 作者
(8) High-Efficient Charge Generation in Single-Donor-Component-Based p-i-n Structure Organic Solar Cells, SOLAR RRL, 2020, 第 10 作者
(9) Superexchange Induced Charge Transport in Organic Donor-Acceptor Cocrystals and Copolymers: A Theoretical Perspective, CHEMISTRY OF MATERIALS, 2019, 第 2 作者
(10) Achieving Small Exciton Binding Energies in Small Molecule Acceptors for Organic Solar Cells: Effect of Molecular Packing, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 第 1 作者
(11) Suppressing charge recombination in small-molecule ternary organic solar cells by modulating donor-acceptor interfacial arrangements, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 第 3 作者
(12) From Alloy-Like to Cascade Blended Structure: Designing High-Performance All-Small-Molecule Ternary Solar Cells, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2018, 第 8 作者
(13) Exciton Binding Energies of Nonfullerene Small Molecule Acceptors: Implication for Exciton Dissociation Driving Forces in Organic Solar Cells, JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 第 1 作者
(14) Self-Assembly of Chiral Gold Clusters into Crystalline Nanocubes of Exceptional Optical Activity, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2017, 第 2 作者
(15) A-pi-D-pi-A Electron-Donating Small Molecules for Solution-Processed Organic Solar Cells: A Review, MACROMOLECULAR RAPID COMMUNICATIONS, 2017, 第 2 作者
(16) Toward Over 15% Power Conversion Efficiency for Organic Solar Cells: Current Status and Perspectives, SMALL METHODS, 2017, 第 2 作者
(17) Tunable Supramolecular Helical Aggregate and Optoelectrical Properties of Perylene Diimides by Stereoisomerism of Sugar, JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 
(18) Charge transport in organic donor-acceptor mixed-stack crystals: the role of nonlocal electron-phonon couplings, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 第 1 作者
(19) A polyimide derivative containing different carbonyl groups for flexible lithium ion batteries, JOURNAL OF MATERIALS CHEMISTRY A, 2016, 
(20) Deepening Insights of Charge Transfer and Photophysics in a Novel Donor-Acceptor Cocrystal for Waveguide Couplers and Photonic Logic Computation, ADVANCED MATERIALS, 2016, 
(21) Acceptor end-capped oligomeric conjugated molecules with broadened absorption and enhanced extinction coefficients for high-efficiency organic solar cells, ADVANCED MATERIALS, 2016, 第 9 作者
(22) Fluorination-enabled optimal morphology leads to over 11% efficiency for inverted small-molecule organic solar cells, NATURE COMMUNICATIONS, 2016, 
(23) Deepening Insights of Charge Transfer and Photophysics in a Novel Donor-Acceptor Cocrystal for Waveguide Couplers and Photonic Logic Computation (vol 28, pg 5954, 2016), ADVANCED MATERIALS, 2016, 
(24) Inversion of the Supramolecular Chirality of Nanofibrous Structures through Co-Assembly with Achiral Molecules, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2016, 
(25) A conformational locking strategy in linked-acceptor type polymers for organic solar cells, POLYMER CHEMISTRY, 2016, 第 5 作者
(26) Dialkoxyphenyldithiophene-based small molecules with enhanced absorption for solution processed organic solar cells, RSC ADVANCES, 2016, 第 7 作者
(27) Uncovering the Intramolecular Emission and Tuning the Nonlinear Optical Properties of Organic Materials by Cocrystallization, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2016, 第 2 作者
(28) Linked-Acceptor Type Conjugated Polymer for High Performance Organic Photovoltaics with an Open-Circuit Voltage Exceeding 1 V, ADVANCED SCIENCE, 2015, 第 6 作者
(29) Oligomeric Donor Material for High-Efficiency Organic Solar Cells: Breaking Down a Polymer, ADVANCED MATERIALS, 2015, 第 5 作者
(30) Understanding the Charge Transport and Polarities in Organic Donor-Acceptor Mixed-Stack Crystals: Molecular Insights from the Super-Exchange Couplings, ADVANCED MATERIALS, 2015, 第 4 作者
(31) Modulating the Helicity of Sugar-Substituted Perylene Diimide Self-assemblies by Solvent Polarilities, CHINESE JOURNAL OF CHEMISTRY, 2015, 第 3 作者
(32) Understanding effects of two different acceptors in one small molecule for solution processable organic solar cells, RSC ADVANCES, 2015, 第 4 作者
(33) Effects of end-capped acceptors subject to subtle structural changes on solution-processable small molecules for organic solar cells, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 第 3 作者
(34) Rationalization of the Selectivity in the Optimization of Processing Conditions for High-Performance Polymer Solar Cells Based on the Polymer Self-Assembly Ability, JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 第 2 作者
(35) Naphtho1,2-b:5,6-b 'dithiophene Based Two-Dimensional Conjugated Polymers for Highly Efficient Thick-Film Inverted Polymer Solar Cells, CHEMISTRY OF MATERIALS, 2014, 第 5 作者
(36) Helical supramolecular aggregates of sugar-based perylene dyes: the effect of core-substituted groups, SOFT MATTER, 2014, 第 4 作者
(37) Charge Transport Properties of Perylene-TCNQ Crystals: The Effect of Stoichiometry, JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 
(38) Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals, JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 第 1 作者
(39) Benzo1,2-b:6,5-b 'dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport, JOURNAL OF MATERIALS CHEMISTRY C, 2013, 第 6 作者
(40) Intrinsic charge transport in single crystals of organic molecular semiconductors: A theoretical perspective, MRS BULLETIN, 2013, 第 4 作者
(41) Electronic and Charge-Transport Properties of the Au-3(CH3N=COCH3)(3) Crystal: A Density Functional Theory Study, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2013, 第 1 作者
(42) Electronic-Structure Theory of Organic Semiconductors: Charge-Transport Parameters and Metal/Organic Interfaces, ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 43, 2013, 
(43) Charge-Transport Parameters of Acenedithiophene Crystals: Realization of One-, Two-, or Three-Dimensional Transport Channels through Alkyl and Phenyl Derivatizations, JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 
(44) Prediction of Remarkable Ambipolar Charge-Transport Characteristics in Organic Mixed-Stack Charge-Transfer Crystals, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2012, 
(45) Electronic Structure of Carbazole-Based Phosphine Oxides as Ambipolar Host Materials for Deep Blue Electrophosphorescence: A Density Functional Theory Study, CHEMISTRY OF MATERIALS, 2012, 第 2 作者
(46) Charge Transfer in Molecular Complexes with 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F-4-TCNQ): A Density Functional Theory Study, CHEMISTRY OF MATERIALS, 2011, 第 1 作者
(47) High-efficiency blue-green electrophosphorescent light-emitting devices using a bis-sulfone as host in the emitting layer, ORGANIC ELECTRONICS, 2011, 第 5 作者
(48) Charge-Transport Properties of the Tetraphenylbis(indolo1,2-a)quinoline and 5,7-Diphenylindolo1,2-aquinoline Crystals, JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 第 1 作者
(49) Charge-Transfer Localization in Molecularly Doped Thiophene-Based Donor Polymers, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2010, 第 2 作者
(50) Theoretical designs of molecular photonics materials, MACROMOLECULAR THEORY AND SIMULATIONS, 2008, 第 2 作者
(51) EXCITON BINDING ENERGY OF ELECTRONIC POLYMERS: A FIRST PRINCIPLES STUDY, JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2008, 第 1 作者
(52) Waterchromism of protonated photomerocyanine dye, Dyes and Pigments, 2008, 
(53) Chiral molecular switches based on binaphthalene molecules with anthracene moieties: cd signal due to interchromophoric exciton coupling and modulation of the cd spectrum, JOURNAL OF ORGANIC CHEMISTRY, 2007, 
(54) Tuning the energy level and photophysical and electroluminescent properties of heavy metal complexes by controlling the ligation of the metal with the carbon of the carbazole unit, ADVANCED FUNCTIONAL MATERIALS, 2007, 
(55) Effects of donor/acceptor strengths on the multiphoton absorption: An EOM-CCSD correction vector study, JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 第 3 作者
(56) Two-photon absorption properties of iron(II) and ruthenium(II) trischelate complexes of 2,2 ': 4,4 '': 4 ',4 '''-quaterpyridinium ligands, JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 
(57) New heterocyclic tetrathiafulvalene compounds with an azobenzene moiety: Photomodulation of the electron-donating ability of the tetrathiafulvalene moiety, JOURNAL OF ORGANIC CHEMISTRY, 2007, 第 5 作者
(58) Structure to property relationships for multiphoton absorption in covalently linked porphyrin dimers: A correction vector INDO/MRDCI study, JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 
(59) Structure-property relationships for three-photon absorption in stilbene-based dipolar and quadrupolar chromophores, JOURNAL OF CHEMICAL PHYSICS, 2006, 
(60) Theoretical design of light-emitting polymers - Substitution effects of excited state ordering of polydiacetylene and polyacetylene, JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2006, 第 3 作者
(61) Singlet-triplet splittings and their relevance to the spin-dependent exciton formation in light-emitting polymers: An EOM/CCSD study, JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 第 2 作者
(62) Binaphthalene molecules with tetrathiafulvalene units: cd spectrum modulation and new chiral molecular switches by reversible oxidation and reduction of tetrathiafulvalene units, JOURNAL OF ORGANIC CHEMISTRY, 2006, 
(63) The correction vector method for three-photon absorption: The effects of pi conjugation in extended rylenebis(dicarboximide)s, JOURNAL OF CHEMICAL PHYSICS, 2006, 第 2 作者
(64) Dendritic BIPHEP: Synthesis and application in asymmetric hydrogenation of β-ketoesters, Journal of Molecular Catalysis. A, Chemical, 2006, 
(65) Three-photon absorption in anthracene-porphyrin-anthracene triads: A quantum-chemical study, JOURNAL OF CHEMICAL PHYSICS, 2004, 
(66) Low-dimensional aggregates from stilbazolium-like dyes, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2004, 
(67) Tuning the fluorescence of 1-imino nitroxide pyrene with two chemical inputs: mimicking the performance of an "AND" gate, CHEMICAL COMMUNICATIONS, 2004, 

科研活动

   
科研项目
( 1 ) 有机给受体混合堆积分子晶体电荷传输性质的理论研究, 负责人, 国家任务, 2015-01--2018-12
( 2 ) 低驱动力有机太阳能电池激子分离机制的理论研究, 负责人, 国家任务, 2018-01--2021-12
( 3 ) 面向长扩散距离的有机光伏材料激子扩散动力学研究, 负责人, 国家任务, 2021-01--2024-12
参与会议
(1)有机光伏材料的激子束缚能   第四届光电材料分子设计国际研讨会   2021-06-25
(2)有机给受体混合堆积晶体的电荷传输性质   第十三届全国量子化学会议   2017-06-11
(3)有机给受体混合堆积晶体的电荷传输性质   中国化学会第30届学术年会   2016-07-04
(4)有机给受体混合堆积分子晶体的电荷传输性质   中国化学会第29届学术年会    朱凌云   2014-08-06
(5)有机给受体混合堆积分子晶体的电荷传输性质   第12届全国量子化学会议    朱凌云   2014-06-14
(6)Theoretical insight into the charge-transport characteristics of organic charge-transfer crystals   Lingyun Zhu   2013-09-05