Article
Computer Science, Interdisciplinary Applications
Xue Zong, Jonathan Lym, Dionisios G. Vlachos
Summary: DescMAP is a Python-based software that automates the selection of descriptors, the generation of volcano maps, and the identification of active sites for structure-sensitive reactions. It enables quick screening of potential catalysts and can be applied to other complex chemistries.
COMPUTER PHYSICS COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Kumarasinghe Divakara Mudiyanselage Sakunthala Pubudu Kumari Kumarasinghe, Buddhika C. Karunarathne, Shashiprabha P. Dunuweera, Rajapakse Mudiyanselage Gamini Rajapakse, Kirthi Tennakone, Gamaralalage Rajanya Asoka Kumara
Summary: The study investigates the effect of 4-tertiary-butylpyridine (TBP) on improving the performance of dye-sensitized solar cells. The presence of TBP increases the transport number of iodide ions and the ionic conductivity of the electrolyte. The optimized DSC with TBP shows a conversion efficiency of 7.94%, a high V-OC of 0.709 V, and J(SC) of 17.22 mA cm(-2), a 35% increase in efficiency compared to when TBP is not present.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Chemistry, Physical
K. Gunasekaran, S. Athithya, M. Navaneethan, S. Harish, J. Archana
Summary: A novel two-dimensional hexagonal mesoporous nickel oxide and titanium substituted nickel oxide nanosheets were synthesized and used as counter electrodes in dye-sensitized solar cells, showing excellent electrochemical and photovoltaic performance. The high performance of nickel oxide-based and 1-TNO-based counter electrodes can be attributed to the high specific surface area and mesoporous nature of the nanosheet structure.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Physical
Meng Kuo, Tsung-Chia Cheng, Huai-Kai Ye, Tzong-Liu Wang, Tzu-Ho Wu, Chi-Ching Kuo, Rong-Ho Lee
Summary: Ag2S-CdS nanocomposite PACI and PACO were synthesized for dye-sensitized solar cells counter electrodes through chemical synthesis and in-situ polymerization. Results showed that PACI-S exhibited higher electrochemical catalytic activity and better photovoltaic properties compared to PANI-S and PACO-S.
Article
Materials Science, Multidisciplinary
Fan Yang, Yurui Gao, Pengcheng Zhao, Yuan He, Yuqiao Wang
Summary: In this study, 1D ZnO@C@MoS(2) nanoarrays on conducting glass were fabricated as an effective counter electrode for dye-sensitized solar cells. The power conversion efficiency reached 3.61% due to enhanced electron transfer and electrocatalytic activity.
Article
Chemistry, Inorganic & Nuclear
Yunjiang Li, Xueying Xu, Ting Wang, Tuo Ji, Fengrui Li, Weilin Chen, Ding Liu
Summary: The modification of MoS2 with vanadium-substituted polyoxometalates improves charge transfer ability and accelerates triiodide reduction, while also enhancing material stability. When used in dye-sensitized solar cells, POMs/MoS2 materials outperform platinum in terms of efficiency and stability, demonstrating a promising alternative for cost-effective and efficient catalysts.
INORGANIC CHEMISTRY
(2022)
Article
Multidisciplinary Sciences
Nattakan Kanjana, Wasan Maiaugree, Paveena Laokul, Inthira Chaiya, Thodsaphon Lunnoo, Poramed Wongjom, Yingyot Infahsaeng, Bunjong Thongdang, Vittaya Amornkitbamrung
Summary: For the first time, solid waste fly ash from a power plant was used in a solar cell application. Various analyses were conducted to understand the properties of the fly ash and its composite film with PEDOT:PSS. The results showed that the fly ash-based solar cell had high efficiency and improved catalytic activity in the counter electrodes.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Ling Xiao, Ping Hu, Zhi-Jun Sui, De Chen, Xing-Gui Zhou, Wei-Kang Yuan, Yi-An Zhu
Summary: A descriptor-based microkinetic analysis was used to screen for inexpensive and environmentally friendly propane dehydrogenation catalysts, leading to the synthesis and evaluation of non-precious Fe3Ga1 catalyst with improved propylene selectivity and catalytic stability compared to Pt catalyst.
JOURNAL OF CATALYSIS
(2021)
Article
Chemistry, Inorganic & Nuclear
G. Sankar, P. Anbarasu, R. Mahendran, K. Rajendran, T. Sivakumar
Summary: This paper systematically researched a new type of solar cell counterelectrode material CoNi2S4/rGO, which exhibits excellent photo-conversion efficiency and electrocatalytic performance, outperforming traditional counter electrode materials Pt and pristine CoNi2S4.
INORGANIC CHEMISTRY COMMUNICATIONS
(2021)
Article
Energy & Fuels
Shuang Lu, Mingzhu Chen, Yinglin Wang, Rong Li, Jun Lin, Xintong Zhang
Summary: The study demonstrates a method to improve the conductivity and catalytic performance of MoS2 synthesized by ultrasonic spray pyrolysis (USP) using reduced graphene oxide (rGO). The MoS2/rGO hybrids combine the abundant active sites of MoS2 with the excellent conductivity of rGO to reduce electron transfer resistance at the CE/electrolyte interface, leading to increased efficiency and stability. This scalable and simple strategy shows potential for synthesizing efficient materials in various electrochemical applications.
Article
Chemistry, Physical
Xing Qian, Linchun Liu, Jie Huang, Ming Chen, Linxi Hou
Summary: A facile template-engaged method was used to synthesize morphology-tunable Ni-Fe-WSx hollow nanoboxes, resulting in rougher surfaces and excellent catalytic properties in DSSCs, with Ni-Fe-WSx-2 exhibiting the highest power conversion efficiency compared to other samples and Pt.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Nanoscience & Nanotechnology
Yohei Nakanishi, Keita Sakakibara, Kimiyo Nakamichi, Kohji Ohno, Takashi Morinaga, Takaya Sato, Takashi Sagawa, Yoshinobu Tsujii
Summary: This study utilized a specific ratio of concentrated-polymer-brush-modified silica nanoparticles with an ionic liquid electrolyte to fabricate a colloidal crystal membrane for dye-sensitized solar cells. The formed structure showed high ionic conductivity and allowed for continuous ion transport channels. The self-assembly of PSiPs in suspension was attributed to the highly repulsive and non-interpenetrating interaction of swollen concentrated polymer brushes.
ACS APPLIED NANO MATERIALS
(2021)
Article
Electrochemistry
Kezhong Wu, Feifei Nie, Xin Qi, Hui Zhao, Ping Li, Mingxing Wu
Summary: Modification and reallocation of TMCs as a catalyst for the CE of DSSCs is a unique approach to improve the PCE. Four different Fe3C@C composites were prepared using different morphologies of Fe2O3 and further utilized in DSSCs. The Fe3C@C composites exhibited morphological dependence on Fe2O3 as a Fe source, leading to high PCEs and potential as Pt-free CEs.
ELECTROCHIMICA ACTA
(2023)
Article
Chemistry, Inorganic & Nuclear
K. Paramasivaganesh, D. Sakthilatha, A. Sankar, P. Siva Karthik, Mohd. Shkir, F. Maiz, Woo Kyoung Kim, Sreedevi Gedi
Summary: This study reports the development of a nanohybrid based on CeNi2S4 nanotubes embedded on reduced graphene oxide (RGO) sheets as a potential replacement for Pt in dye sensitized solar cells (DSSCs). The optimized CeNi2S4/RGO nanohybrid counter electrode showed high photo conversion efficiency, attributed to its hierarchical structure providing fast ion diffusion pathways, large accessible surface area, and good chemical and thermal stability.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Muhammad Reza, Annisa Nurul Utami, Auliya Nur Amalina, Didi Prasetyo Benu, Alvian Ikhsanul Fatya, Mohammad Kemal Agusta, Brian Yuliarto, Yusuf Valentino Kaneti, Yusuke Ide, Yusuke Yamauchi, Veinardi Suendo
Summary: This study investigates the adsorption behavior of PANI towards triiodide ion in acetonitrile, finding that nanostructured PANI NPES has a higher adsorption capacity than PANI ES. Both types of PANI follow the dual-site Langmuir-Freundlich isotherm model, with NPES providing more favorable adsorption sites through electrostatic interactions. The thorny durian-like surface morphology of NPES increases the number of adsorption sites for ions, leading to enhanced electrolyte regeneration in DSSC.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Chemistry, Physical
Jian-Fu Chen, Yu Mao, Hai-Feng Wang, P. Hu
Article
Chemistry, Physical
Zhi-Qiang Wang, Dong Wang, Xue-Qing Gong
Article
Chemistry, Physical
Dong Wang, Chuanming Wang, Weimin Yang
Article
Chemistry, Applied
Jianfeng Liu, Wei Zhou, Dongyu Jiang, Dong Wang, Wenhai Wu, Yue Wang, Xinbin Ma
Summary: The use of rare-earth metals (Y, La, Ce) as dopants to modify the ZnAl2O4 support in Pt-Sn catalyzed isobutane dehydrogenation shows promising results, with Pt-Sn/Ce-ZnAl2O4 exhibiting superior catalytic performance. Tailoring the composition and structure of oxide supports can provide additional insights for the design and optimization of isobutane dehydrogenation catalysts.
Article
Multidisciplinary Sciences
Dong Wang, Xue-Qing Gong
Summary: Photocatalytic performances require both active catalytic surfaces and efficient electron transfer steps. Here the authors introduce a function-oriented catalyst design strategy optimizing both aspects and generalize an effective electron transfer descriptor on metal/oxide catalysts.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Physical
Ting Nie, Dong Wang, Xue-Qing Gong
Summary: This study investigated the structural characteristics and chemisorption energies of five-fold twinned copper and gold nanorods using large-scale structure searching and quantum calculations. The results revealed that the gold twinning boundary has a more regular structure with potential defects in local areas, while the copper twinning region is less compact with fewer defects. Surface adsorption calculations demonstrated varying degrees of chemisorption enhancement at different sites.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Jiahao Zhang, Xianbiao Fu, Fanjie Xia, Wenqing Zhang, Dongsheng Ma, Yu Zhou, Hong Peng, Jinsong Wu, Xueqing Gong, Dong Wang, Qin Yue
Summary: In this study, a core-shell nanostructured Ru@Ir-O catalyst with low overpotential and high mass activity for the anodic oxygen evolution reaction (OER) in acid was introduced. The core-shell interaction and tensile strain were found to play a significant role in enhancing the OER activity compared to conventional IrO2.
Article
Chemistry, Physical
Zheng-Li Xie, Dong Wang, Xue-Qing Gong
Summary: This study reveals the complete reaction mechanism and rate-determining steps of nitrate reduction on Pt/TiO2 catalyst. By regulating the charge density of Pt, the dissociation and hydrogenation steps of the reaction can be modified, leading to improved activity. Doping Zn or Cu into TiO2 is proposed as an effective strategy to enhance the nitrate reduction activity.
Article
Chemistry, Physical
Fei Li, Jian-Fu Chen, Xue-Qing Gong, P. Hu, Dong Wang
Summary: This study investigates the significance of surface structures in altering the photooxidation functions of titanium dioxide (TiO2) in aqueous environments. By developing a solution simulation method, the researchers identify a complete mechanism for the photocatalytic oxygen evolution reaction (OER) and determine the leading reaction pathway based on the concentration of photoholes reaching the surface. The results also reveal the importance of proper surface structures in achieving efficient catalysis.
Article
Chemistry, Physical
Hui Zhou, Dong Wang, Xue-Qing Gong
Summary: By performing density functional theory calculations, it was found that the composite catalysts of inverse CeOx/Cu(111) can produce more active hydride species compared to CeO2 or Cu alone. This is mainly due to the efficient combination of the unique structural feature of CeOx islands and the electronic promotion from Cu. Additionally, modifying the Cu(111) surface with pyridine molecules can enhance the thermo- and dynamical stabilities of the hydride species.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Zheng Huang, Dongsheng Ma, Pei Nian, Yu Zhou, Dong Wang, Xueqing Gong, Zheng Wang, Qin Yue
Summary: A novel 2D mesoporous N-doped carbon nanosheet with confined bimetallic CoNi nanoparticles sandwiched graphene has been successfully fabricated as a host material for lithium-sulfur batteries. This material exhibits high reversible capacity, superior rate capability, and excellent cycling stability. The remarkable performance is attributed to the ordered mesoporous N-doped carbon framework and the adsorption and catalytic conversion abilities of bimetallic CoNi nanoparticles.
Article
Chemistry, Physical
Xiang-Peng Tao, Xue-Qing Gong, Dong Wang
Summary: The study reveals the reaction mechanism of photocatalytic formaldehyde degradation and proposes an optimal degradation mechanism that harnesses the advantages of photogenerated holes and (OH)-O-center dot radicals. Additionally, the research also discovers the correlation between the catalytic and thermocatalytic reaction barriers of C-H bond activation and the polarity of C-H bonds.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Fei Li, Dong Wang, Xue-Qing Gong
Summary: This study investigates the promotional effect of oxygen vacancies on photoelectron transfer in TiO2, showing that ionized oxygen vacancies play a crucial role in photocatalysis, especially in the rutile phase. The results indicate that certain ionized oxygen vacancies patterns can enhance the photocatalytic efficiency of TiO2.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Applied
Zhu-Yuan Zheng, Dong Wang, Yi Zhang, Fan Yang, Xue-Qing Gong
CHINESE JOURNAL OF CATALYSIS
(2020)
Article
Chemistry, Physical
Hui Zhou, Dong Wang, Xue-Qing Gong
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)