Article
Spectroscopy
Xinyue Wang, Hongxiang Wang, Meixia Zhang, Tonu Pullerits, Peng Song
Summary: Based on Marcus theory, the photoinduced electron transfer properties of D-A type non-fullerene acceptor organic solar cells (OSCs) under the dependence of external electric field (F-ext) were investigated. The research found that the charge transfer mode changes with the intensity of external electric field and the important parameters (delta G, lambda, and V-DA) play a crucial role in the charge transfer rate.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Spectroscopy
Debkumar Rana, Arnulf Materny
Summary: This study provides a detailed comparison of optical and electronic properties in organic semiconductor systems under an external electric field using density functional theory. The research enhances understanding of the relationship between chemical structures and optical/electronic properties in organic solar cell systems, and quantitatively extracts the charge-transfer rate influenced by the external electric field by simulating Raman spectra and excited state properties.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Multidisciplinary
Weijie Chen, Shuo Liu, Qingqing Li, Qinrong Cheng, Baosheng He, Zhijun Hu, Yunxiu Shen, Haiyang Chen, Guiying Xu, Xuemei Ou, Heyi Yang, Jiachen Xi, Yaowen Li, Yongfang Li
Summary: An effective method of enhancing the built-in electric field intensity in perovskite solar cells is reported in this study. By doping an organic ferroelectric material, PVDF:DH, an additional electric field is generated, promoting charge-carrier transport, perovskite growth, and improving the overall performance and stability of the solar cells.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Physical
Yan Lei, Di Zhang, Jinpeng Wu, Haodan Guo, Xiangrong Li, Yanyan Fang, Dongmei Xie, Yuan Lin
Summary: Solid state solar cells using CQDs as light absorber have limited research, and this study fabricated CdSe CQDs solid state solar cells to investigate the reasons for low photoelectric conversion efficiency. It finds that the low efficiency of photoinduced hole transport blocks the improvement of the photoelectric performance. By adding a thin PbS interlayer between CQDs and hole transport layer, the photocurrent is increased by about 7.8 times in the devices constructed with 5.1 nm CQDs, resulting in a PCE of 1.29%.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Yunlong Shao, Yingyan Zhou, Yuanxing Liu, Wenmei Zhang, Guizhen Zhu, Yaoyao Zhao, Qi Zhang, Huan Yao, Hansen Zhao, Guangsheng Guo, Sichun Zhang, Xinrong Zhang, Xiayan Wang
Summary: Single-cell mass spectrometry can reveal cellular heterogeneity and the molecular mechanisms of intracellular biochemical reactions. The intact living-cell electrolaunching ionization mass spectrometry (ILCEI-MS) method proposed in this study improves detection sensitivity and allows for the analysis of multiple cell lines and primary cells.
Article
Chemistry, Physical
Cong Li, Huan Li, Zhinan Zhu, Tong Yin, Zhenni Wang, Peipei Li, Chengxin Zeng, Fu Yang, Peng Zhong, Nuanyang Cui, Chunhui Shou
Summary: CdS/ZnS quantum dots can achieve the dual effects of waterproofing hydrophobic and defect passivation of perovskite films, improving the efficiency and stability of the device.
JOURNAL OF POWER SOURCES
(2022)
Article
Chemistry, Physical
Yiyang Lin, Kang Liu, Kejun Chen, Yan Xu, Hongmei Li, Junhua Hu, Ying-Rui Lu, Ting-Shan Chan, Xiaoqing Qiu, Junwei Fu, Min Liu
Summary: In this study, external N species, including pyrrolic-N and graphitic-N, were introduced near FeN4 to regulate its charge distribution and improve its ORR activity. Theoretical calculations and experimental results confirmed that the introduction of pyrrolic-N led to enhanced electron redistribution and local electrical field on the Fe site, resulting in positive charge accumulation and improved catalytic performance for ORR. This work provides guidance on enhancing the catalytic performances of single-atom catalysts by introducing charge-redistribution sites.
Article
Chemistry, Multidisciplinary
Xiaotian Yang, Jianpeng Cui, Luxue Lin, Ang Bian, Jun Dai, Wei Du, Shiying Guo, Jingguo Hu, Xiaoyong Xu
Summary: The concept of an external electron transport layer (ETL) is proposed to improve the charge separation efficiency of bismuth vanadate (BiVO4, BVO) photoanode. By applying a conformal carbon capsulation, the charge recombination is suppressed and the external conductance channels are built. The carbon-encased BVO (BVO@C) photoanode shows durable water splitting with high current density, which is a record for single BVO light absorber.
Article
Chemistry, Multidisciplinary
Marc-Antoine Stoeckel, Yoann Olivier, Marco Gobbi, Dmytro Dudenko, Vincent Lemaur, Mohamed Zbiri, Anne A. Y. Guilbert, Gabriele D'Avino, Fabiola Liscio, Andrea Migliori, Luca Ortolani, Nicola Demitri, Xin Jin, Young-Gyun Jeong, Andrea Liscio, Marco-Vittorio Nardi, Luca Pasquali, Luca Razzari, David Beljonne, Paolo Samori, Emanuele Orgiu
Summary: Charge transport in organic semiconductors is highly sensitive to disorder, especially in n-type materials, due to internal dynamic disorder caused by thermal fluctuations and molecular vibrations. This disorder can lead to transient localization of charge carriers.
ADVANCED MATERIALS
(2021)
Article
Chemistry, Physical
Hongxiang Wang, Qiao Zhou, Peng Song
Summary: In this study, a charge-transfer complex was formed between dpTPA and APDC that exhibited a wide range of charge-transfer absorption in the near-infrared region. The rate of charge transfer as regulated by an external electric field was quantitatively analyzed using first-principles quantum mechanics. The results show that the rates of charge separation and charge recombination were affected by the external electric field and need to be considered in simulating electron transfer in organic semiconductors.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Leanna Schulte, William White, Lawrence A. Renna, Shane Ardo
Summary: The key advancement in the digital revolution was the invention of the solid-state diode, which outperformed water-based diodes in rectifying electronic current. By fabricating bipolar membranes into membrane-electrode assemblies, high-quality protonic diodes were created and demonstrated reverse photovoltaic action when sensitized to visible light using photoacids. These innovations are expected to drive advancements in iontronics, neuromorphic computing, and brain-machine interfaces.
Article
Chemistry, Physical
Weijie Yang, Xiao-Li Wang, Ningning Kong, Chengdong Liu, Peipei Sun, Zhiqiang Wang, Yayun Ding, Haiping Lin, Dongsheng Li, Tao Wu
Summary: In this study, an external electric field (EEF) was created by chemically loading [Mo3S7]4+ clusters on the S-Zn side of asymmetric ZnIn2S4 monolayers to steer charge flow, leading to improved photocatalytic performance. The EEF drove photogenerated electrons to the S-Zn side and further transferred them for photocatalytic hydrogen evolution, resulting in a four times higher PHE rate compared to ZIS. The significance of the EEF for carrier separation was confirmed through density functional theory calculations based on charge density distribution.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Article
Chemistry, Multidisciplinary
Yongjian Zhou, Tingwen Guo, Leilei Qiao, Qian Wang, Meng Zhu, Jia Zhang, Quan Liu, Mingkun Zhao, Caihua Wan, Wenqing He, Hua Bai, Lei Han, Lin Huang, Ruyi Chen, Yonggang Zhao, Xiufeng Han, Feng Pan, Cheng Song
Summary: This study reports the experimental realization of electric field-induced piezoelectric strain-controlled magnon spin current transmission in an antiferromagnetic insulator. Efficient and nonvolatile manipulation of magnon propagation/blocking is achieved by changing the relative direction between the Neel vector and spin polarization, which is tuned by ferroelastic strain from the piezoelectric substrate. This controlled antiferromagnetic magnon transport opens up possibilities for developing antiferromagnet-based spin/magnon transistors with ultrahigh energy efficiency.
Article
Chemistry, Multidisciplinary
Meiyang Wang, Zhenzong Zhang, Zexu Chi, Lan-lan Lou, Hui Li, Han Yu, Tianyi Ma, Kai Yu, Hao Wang
Summary: Utilizing the electric field of ferroelectric materials to separate and transfer photogenerated charges has been considered as a promising approach to develop efficient photocatalysts. In this study, a novel heterostructure was fabricated by coupling potassium poly(heptazine imide) with ferroelectric BaxSr1-xTiO3. The intimate interfacial contact between the two materials enhances the internal electric field, while the potassium ions in K-PHI act as charge-transfer bridges to promote the migration and separation of photogenerated charge carriers. The resulting catalyst, 5% K-PHI/B0.8ST, exhibits a significantly improved H-2-evolution rate and exceptional stability.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Review
Chemistry, Physical
Jingwen Li, Weinan Yin, Junan Pan, Yingbo Zhang, Fengshun Wang, Longlu Wang, Qiang Zhao
Summary: Hydrogen is expected to replace traditional fossil energy as a clean, efficient, and sustainable energy source. The external field-assisted hydrogen evolution reaction (HER) has become a new research hotspot, and this article provides a systematic summary of the promoting effects of various external fields on catalytic hydrogen production. It discusses the challenges and future research topics in this field.
Review
Instruments & Instrumentation
Yi Cao, Yuqing Cheng, Mengtao Sun
Summary: Graphene with its unique structure and excellent properties, combined with metal nanoparticles, can generate plasmon coupling effects, which have wide-ranging applications. Graphene-based SERS sensors and catalytic devices have great potential in medical monitoring, food inspection, and biomedical fields.
APPLIED SPECTROSCOPY REVIEWS
(2023)
Article
Physics, Multidisciplinary
Yunfan Yang, Lujia Yang, Fengcai Ma, Yongqing Li, Yue Qiu
Summary: Inspired by the activity-based sensing method, a hydrazine-modified naphthalene derivative (Naph1) was synthesized and used as a fluorescent probe for formaldehyde (FA) detection in living cells. The probe Naph1 showed a 14-fold enhancement of fluorescent signal around 510 nm, indicating high selectivity and sensitivity for FA detection. The sensing mechanism was further explored using theoretical calculations and simulations, revealing the importance of excited-state intramolecular proton transfer (ESIPT) for the light-up fluorescent detection of FA.
Article
Chemistry, Physical
Jun Dong, Haoran Wu, Yi Cao, Jiaxin Yuan, Qingyan Han, Wei Gao, Chengyun Zhang, Jianxia Qi, Mengtao Sun
Summary: In this study, a capillary device based on surface plasmon-enhanced Raman scattering effect was prepared using a simple method. The effects of varying the concentration of APTES, colloids, and the soaking time of the capillary in the colloids on the assembly of gold nanoparticles were studied. The capillary showed excellent SERS performance, with a low detection limit and uniformity for probe molecules and real-life substances.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Yingcui Fang, Lei Li, Huanhuan Li, Shiqi Zhao, Zhitao Cheng, Yujie Nian, Bin Xu, Xiangqian Chu, Mengtao Sun
Summary: The structure of copper nanoparticles in air has a significant impact on their photocatalytic performance, which is often overlooked. As the size of the nanoparticles increases, the photo-reduction efficiency of copper nanoparticles initially increases and then decreases, in contrast to silver nanoparticles. It was found that Cu2O plays a dominant role in small-sized particles, while both Cu2O and CuNPs contribute to the low photo-reduction efficiency in large-sized particles.
Article
Physics, Applied
Yi Cao, Yanting Feng, Yuqing Cheng, Lingyan Meng, Mengtao Sun
Summary: Through the tip-enhanced Raman scattering system, we theoretically explore the plexcitons of a bilayer borophene synthesized on an Ag(111) film. In the strong-coupling region, the bilayer borophene exhibits plasmonic properties and shows Rabi splitting of plexcitons with 310 meV. In the weak-coupling region, the spectra exhibit typical asymmetry with Fano resonance. Single-mode lasing with ultrahigh enhancement factor up to 10^8 is achieved in the parity-time symmetry-broken regime, and Fano-resonant propagating plexcitons are observed.
APPLIED PHYSICS LETTERS
(2023)
Article
Nanoscience & Nanotechnology
Chenyu Li, Yi Cao, Jindou Ru, Jun Dong, Mengtao Sun
Summary: This paper investigates the electronic, optoelectronic, and thermoelectric properties of single diketopyrrolopyrrole molecular devices with different molecular units. The single molecular devices show a negative differential resistance effect under adjusted bias voltage, and the reasons for this effect are provided. The molecular orbital energy levels can be regulated by gate voltages for conductivity conversion. The transformation of molecular device functions in time-varying alternating current transport is discussed, and bias voltage regulation is performed for better photocurrent and analysis of thermoelectric current. These findings indicate a strong correlation between the electronic, optoelectronic, and thermoelectric properties of single molecular devices and the molecular unit-length, providing guidance for the development of molecular devices with different unit lengths.
ADVANCED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Physical
Haiyan Liu, Ning Li, Jiarui Xia, Mengtao Sun, Lixin Xia
Summary: The optical and spectral properties of helicene carbon nanoloops with Mobius topology are of great importance in nanoscience and nanotechnology. Theoretical investigation reveals a unique characterization of carbon nanoloops using Mobius topology through density of states, photoelectronic spectrum, the Independent gradient model, charge transfer spectrum and Electronic circular dichroism. The results provide insights into the physical mechanism of optical absorption and potential applications of Mobius topological helicene carbon nanoloop in optical nanodevices.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Spectroscopy
Ning Li, Mengtao Sun, Shuo Cao
Summary: This paper presents a theoretical investigation on the optical absorption and molecular chirality of p-conjugated mechanically interlocked nanocarbons, using one photon absorption (OPA) and two photon absorption (TPA) as well as electronic circular dichroism (ECD) spectra. The study reveals the optical excitation properties and chirality resulting from interlocked mechanical bonds. TPA and ECD can effectively discriminate between interlocked and non-interlocked molecules, as well as differentiate [2]catenanes from [3]catenanes.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Spectroscopy
Lichun Sun, Mengtao Sun, Youjin Zheng
Summary: In this paper, we theoretically investigate the fluorescence origin and chirality mechanism of graphene quantum dots with non-twist and twist geometries, respectively. It is revealed that twist is not necessary for fluorescence; but twist is a must for chirality, which can significantly enhance the intensity of chirality as demonstrated by ECD spectra. Our results provide a deeper understanding of the physical mechanism of fluorescence and chirality in graphene quantum dots influenced by geometric twist.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Spectroscopy
Wenwen Li, Mengtao Sun
Summary: We theoretically investigate the local electron density, electronic band structure, density of state, dielectric function, and optical absorption of the bulk and monolayer C60 network structures, based on the latest experimental synthesis. The results show that the ground state electrons are concentrated on the bridge bonds between clusters, the bulk and monolayer C60 network structures have strong absorption peaks in the visible and near infrared regions, and the monolayer quasi-tetragonal phase C60 network structure shows strong polarization dependence. Our results not only provide insights into the physical mechanism of optical absorption of the monolayer C60 network structure, but also reveal potential applications of the C60 network structure in photoelectric devices.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Materials Science, Multidisciplinary
Rui Yang, Mengtao Sun
Summary: Borophene, a 2D material with excellent properties, has gained significant attention for its potential applications in various fields. Its unique properties make it an ideal candidate for device design and energy storage materials. Recent advances in its synthesis have opened up new possibilities for nanodevice applications.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Physical
Yuqing Cheng, Mengtao Sun
Summary: Plexciton is a new hybridized energy state formed by the coupling of a plasmon and an exciton, and its optical properties are described using a classic oscillator model. In the case of strong coupling, absorption spectra show a phenomenon similar to electromagnetically induced transparency, and the splitting behavior of modes depends on the effective number of electrons and resonance coupling. Photoluminescence spectra exhibit significant changes in strong coupling, while the emission intensity of the exciton is greatly enhanced by the plasmon. Comparisons with published experiments validate the model's validity. This study is important for understanding Plexciton mechanism and the development of new applications.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Wenwen Li, Jing Li, Mengtao Sun
Summary: In this study, the fluorescence resonance energy transfer (FRET) and intermolecular charge transfer (ICT) in the donor-acceptor system for efficient organic solar cells (OSCs) of the Y6:PM6 heterostructure were investigated. The physical mechanisms of FRET and ICT in the donor-acceptor system were studied theoretically and experimentally, providing valuable references for the rational design of FRET- and ICT-based OSCs.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Xin Xin, Wei Shi, Yu Zhao, Guijie Zhao, Yongqing Li
Summary: This study provides a detailed explanation of the water detection mechanism in water-sensitive reactions in organic solvents and establishes a theoretical basis for synthesizing new Schiff base fluorescent chromophores for water detection in organic solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Spectroscopy
Yu Chen, Lichun Sun, Mengtao Sun, Youjin Zheng
Summary: This paper presents a theoretical study on the optical properties of carbon nanobelts with various edges and interlocked structures, focusing on their chirality. The results show that two photon absorption and electronic circular dichroism techniques can effectively distinguish carbon nanoribbons with different boundaries, providing insights into their relationship and unique features. This research contributes to a better understanding of carbon nanoribbons, mechanically interlocked molecules, and chirality.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
