Ab initio study of two-dimensional PdPS as an ideal light harvester and promising catalyst for hydrogen evolution reaction

Article


Jiao, Yalong, Ma, Fengxian, Zhou, Liujiang, Ng, Yun Hau, Bell, John, Tretiak, Sergei and Du, Aijun. 2018. "Ab initio study of two-dimensional PdPS as an ideal light harvester and promising catalyst for hydrogen evolution reaction." Materials Today Energy. 7, pp. 136-140. https://doi.org/10.1016/j.mtener.2018.01.005
Article Title

Ab initio study of two-dimensional PdPS as an ideal light harvester and promising catalyst for hydrogen evolution reaction

ERA Journal ID213639
Article CategoryArticle
AuthorsJiao, Yalong (Author), Ma, Fengxian (Author), Zhou, Liujiang (Author), Ng, Yun Hau (Author), Bell, John (Author), Tretiak, Sergei (Author) and Du, Aijun (Author)
Journal TitleMaterials Today Energy
Journal Citation7, pp. 136-140
Number of Pages5
Year2018
PublisherElsevier
Place of PublicationUnited Kingdom
ISSN2468-6069
Digital Object Identifier (DOI)https://doi.org/10.1016/j.mtener.2018.01.005
Web Address (URL)https://www.sciencedirect.com/science/article/pii/S2468606917303040
Abstract

The development of two-dimensional (2D) energy materials with high light absorption and ideal Gibbs free energy for hydrogen evolution reaction (HER) can propel us toward new technologies of efficient photoelectric conversion and clean energy production. Here our first-principles study depicts the 2D PdPS as a promising material for the photovoltaic solar cell and highly active catalyst for HER. Specifically, the calculated optical gap of PdPS monolayer is 1.65 eV, close to the ideal gap for solar cells. The PdPS monolayer shows a remarkably high absorbance in the visible light region and the exciton binding energy is estimated to be 0.55 eV. The PdPS sheet is found to possess highly active sites for HER, with the ideal value of Gibbs free energy, which is more desirable than that of Pt and MoS2. Furthermore, we find the single-layer PdPS can be obtained experimentally by mechanical cleavage and it is dynamically stable by analysing its vibrational normal modes. Our work expands the family of 2D solar cells and the highly active HER activity of PdPS layer will place it as a promising catalyst for water splitting.

KeywordsHydrogen evolution reaction; Light harvester; Catalyst for water splitting; DFT calculations
ANZSRC Field of Research 2020400499. Chemical engineering not elsewhere classified
Public Notes

Files associated with this item cannot be displayed due to copyright restrictions.

Byline AffiliationsQueensland University of Technology
Los Alamos National Laboratory, United States
University of New South Wales
Institution of OriginUniversity of Southern Queensland
Permalink -

https://research.usq.edu.au/item/q5x33/ab-initio-study-of-two-dimensional-pdps-as-an-ideal-light-harvester-and-promising-catalyst-for-hydrogen-evolution-reaction

  • 129
    total views
  • 10
    total downloads
  • 2
    views this month
  • 0
    downloads this month

Export as

Related outputs

Non‐selective Defect Minimization towards Highly Efficient Metal‐Organic Framework Membranes for Gas Separation
Dorosti, Fatereh, Ge, Lei, Wang, Hao, Bell, John, Lin, Rijia, Hou, Jingwei and Zhu, Zhonghua. 2024. "Non‐selective Defect Minimization towards Highly Efficient Metal‐Organic Framework Membranes for Gas Separation." Angewandte Chemie. https://doi.org/10.1002/ange.202417513
Thermo-phototronic Effect in Double Semiconductor Heterostructures for Highly Sensitive Self-Powered Sensors
Nguyen, Hung, Nguyen, Duy Van, Tran, Thi Lap, Dao, Dzung Viet, Nguyen, Nam-Trung, Bell, John and Dinh, Toan. 2024. "Thermo-phototronic Effect in Double Semiconductor Heterostructures for Highly Sensitive Self-Powered Sensors." ACS Applied Electronic Materials. 6 (9), p. 6957–6964. https://doi.org/10.1021/acsaelm.4c01287
Tri-band electrochromic smart window for energy savings in buildings
Shao, Zewei, Huang, Aibin, Cao, Cuicui, Ji, Xiaowei, Hu, Wei, Luo, Hongjie, Bell, John, Jin, Ping, Yang, Ronggui and Cao, Xun. 2024. "Tri-band electrochromic smart window for energy savings in buildings." Nature Sustainability. 7 (6), pp. 796-803. https://doi.org/10.1038/s41893-024-01349-z
Site-selective Mg-doping regulated charge storage in NaFe2PO4(SO4)2 for high energy sodium-ion batteries
Pinjari, Sharad Dnyanu, Dutta, Ravi C., Chen, Shuimei, Mudavath, Purandas, Huang, Xiaodan, Bell, John, Bhatia, Suresh K., Nanjundan, Ashok Kumar and Gaddam, Rohit Ranganathan. 2024. "Site-selective Mg-doping regulated charge storage in NaFe2PO4(SO4)2 for high energy sodium-ion batteries." Chemical Engineering Journal. 493. https://doi.org/10.1016/j.cej.2024.152485
Tunable thermo-phototronic effect in unintentionally doped n-3C-SiC/p-Si heterostructure
Nguyen, Hung, Nguyen, Duy Van, Tran, Thi Lap, Song, Pingan, Hong, Min, Dao, Dzung Viet, Nguyen, Nam-Trung, Bell, John and Dinh, Toan. 2024. "Tunable thermo-phototronic effect in unintentionally doped n-3C-SiC/p-Si heterostructure." Applied Physics Letters. 124 (15). https://doi.org/10.1063/5.0187276
Doping Regulation Stabilizing δ-MnO2 Cathode for High-Performance Aqueous Aluminium-ion Batteries
Chen, Shuimei, Kong, Yueqi, Tang, Cheng, Gadelhak, Nashaat Ahmed, Nanjundan, Ashok Kumar, Du, Aijun, Yu, Chengzhong and Huang, Xiaodan. 2024. "Doping Regulation Stabilizing δ-MnO2 Cathode for High-Performance Aqueous Aluminium-ion Batteries ." Small. 20 (32). https://doi.org/10.1002/smll.202312229
What energy storage technologies will Australia need as renewable energy penetration rises?
Wangmo,, Helwig, Andreas and Bell, John. 2024. "What energy storage technologies will Australia need as renewable energy penetration rises?" Journal of Energy Storage. 95. https://doi.org/10.1016/j.est.2024.112701
Micromachined Mechanical Resonant Sensors: From Materials, Structural Designs to Applications
Dinh, Toan, Rais-Zadeh, Mina, Nguyen, Thanh, Phan, Hoang-Phuong, Song, Pingan, Deo, Ravinesh, Dao, Dzung, Nguyen, Nam-Trung and Bell, John. 2024. "Micromachined Mechanical Resonant Sensors: From Materials, Structural Designs to Applications." Advanced Materials Technologies. 9 (2). https://doi.org/10.1002/admt.202300913
Facile Fabrication of “Tacky”, Stretchable, and Aligned Carbon Nanotube Sheet-Based Electronics for On-Skin Health Monitoring
Nguyen, Duy Van, Mills, Dean, Tran, Canh-Dung, Nguyen, Thanh, Nguyen, Hung, Tran (Student), Thi Lap, Song, Pingan, Phan, Hoang-Phuong, Nguyen, Nam-Trung, Dao, Dzung Viet, Bell, John and Dinh, Toan. 2023. "Facile Fabrication of “Tacky”, Stretchable, and Aligned Carbon Nanotube Sheet-Based Electronics for On-Skin Health Monitoring ." ACS Applied Materials and Interfaces. 15 (50), p. 58746–58760. https://doi.org/10.1021/acsami.3c13541
Pathways to Next-Generation Fire-Safe Alkali-Ion Batteries
Zhang, Yubai, Feng, Jiabing, Jiadong, Qin, Zhong, Yu Lin, Zhang, Shanqing, Wang, Hao, Bell, John, Guo, Zaiping and Song, Pingan. 2023. "Pathways to Next-Generation Fire-Safe Alkali-Ion Batteries." Advanced Science. 10 (24). https://doi.org/10.1002/advs.202301056
Enhanced Photovoltaic Effect in n-3C-SiC/p-Si Heterostructure Using a Temperature Gradient for Microsensors
Nguyen, Hung, Nguyen, Thanh, Nguyen, Duy Van, Phan, Hoang-Phuong, Nguyen, Tuan Khoa, Dao, Dzung Viet, Nguyen, Nam-Trung, Bell, John and Dinh, Toan. 2023. "Enhanced Photovoltaic Effect in n-3C-SiC/p-Si Heterostructure Using a Temperature Gradient for Microsensors." ACS Applied Materials and Interfaces. 15 (32), pp. 38930-38937. https://doi.org/10.1021/acsami.3c06699
High‐concentration electrosynthesis of formic acid/formate from CO2: reactor and electrode design strategies
Kuang, Yizhu, Rabiee,Hesamoddin, Ge, Lei, Rufford, Thomas E., Yuan, Zhiguo, Bell, John and Wang, Hao. 2023. "High‐concentration electrosynthesis of formic acid/formate from CO2: reactor and electrode design strategies." Energy and Environmental Materials. https://doi.org/10.1002/eem2.12596
A new operando surface restructuring pathway via ion-pairing of catalyst and electrolyte for water oxidation
Zhuang, Linzhou, Li, Zhiheng, Li, Mengran, Tao, Haolan, Mao, Xin, Lian, Cheng, Ge, Lei, Du, Aijun, Xu, Zhi, Shao, Zongping and Zhu, Zhonghua. 2023. "A new operando surface restructuring pathway via ion-pairing of catalyst and electrolyte for water oxidation." Chemical Engineering Journal. 454 (Part 1), pp. 1-10. https://doi.org/10.1016/j.cej.2022.140071
The concept of light-harvesting, self-powered mechanical sensors using a monolithic structure
Nguyen, Thanh, Dinh, Toan, Dau, Van Thanh, Nguyen, Hung, Vu, Trung Hieu, Tran, Canh-Dung, Song, Pingan, Bell, John, Nguyen, Nam-Trung and Dao, Dzung Viet. 2022. "The concept of light-harvesting, self-powered mechanical sensors using a monolithic structure." Nano Energy. 96, pp. 1-9. https://doi.org/10.1016/j.nanoen.2022.107030
Light-Harvesting Self-Powered Monolithic-Structure Temperature Sensing Based on 3C-SiC/Si Heterostructure
Nguyen, Thanh, Dinh, Toan, Bell, John, Nguyen, Nam-Trung and Dao, Viet Dzung. 2022. "Light-Harvesting Self-Powered Monolithic-Structure Temperature Sensing Based on 3C-SiC/Si Heterostructure." ACS Applied Materials and Interfaces. 14, pp. 22593-22600. https://doi.org/10.1021/acsami.2c01681
A Heterostructure Coupling of Exfoliated Ni–Fe Hydroxide Nanosheet and Defective Graphene as a Bifunctional Electrocatalyst for Overall Water Splitting
Jia, Yi, Zhang, Longzhou, Gao, Guoping, Chen, Hua, Wang, Bei, Zhou, Jizhi, Soo, Mun Teng, Hong, Min, Yan, Xuecheng, Qian, Guangren, Zou, Jin, Du, Aijun and Yao, Xiangdong. 2017. "A Heterostructure Coupling of Exfoliated Ni–Fe Hydroxide Nanosheet and Defective Graphene as a Bifunctional Electrocatalyst for Overall Water Splitting." Advanced Materials. 29 (17), pp. 1-8. https://doi.org/10.1002/adma.201700017
First-Principles Study of the Enhanced Magnetic Anisotropy and Transition Temperature in a CrSe2 Monolayer via Hydrogenation
Munirah, Munirah, Tang, Cheng, Wijethunge, Dimuthu, Qi, Dongchen and Du, Aijun. 2022. "First-Principles Study of the Enhanced Magnetic Anisotropy and Transition Temperature in a CrSe2 Monolayer via Hydrogenation." ACS Applied Electronic Materials. 4 (7), pp. 3240-3245. https://doi.org/10.1021/acsaelm.2c00476
Enabling two-electron redox chemistry of P-type organic cathode for high-capacity aluminium-ion batteries
Kong, Yueqi, Tang, Cheng, Lei, Chang, Nanjundan, Ashok K., Chen, Shuimei, Ahmed, Nashaat, Rakov, Dmitrii, Du, Aijun, Huang, Xiaodan and Yu, Chengzhong. 2022. "Enabling two-electron redox chemistry of P-type organic cathode for high-capacity aluminium-ion batteries." Nano Energy. 102. https://doi.org/10.1016/j.nanoen.2022.107727
Thermal Reductive Perforation of Graphene Cathode for High-Performance Aluminum-Ion Batteries
Kong, Yueqi, Tang, Cheng, Huang, Xiaodan, Nanjundan, Ashok Kumar, Zou, Jin, Du, Aijun and Yu, Chengzhong. 2022. "Thermal Reductive Perforation of Graphene Cathode for High-Performance Aluminum-Ion Batteries." Advanced Functional Materials. 31 (17). https://doi.org/10.1002/adfm.202010569
High‐performance perovskite composite electrocatalysts enabled by controllable interface engineering
Xu, Xiaomin, Pan, Yangli, Ge, Lei, Chen, Yubo, Mao, Xin, Guan, Daqin, Li, Mengran, Zhong, Yijun, Hu, Zhiwei, Peterson, Vanessa K., Saunders, Martin, Chen, Chien‐Te, Zhang, Haijuan, Ran, Ran, Du, Aijun, Wang, Hao, Jiang, San Ping, Zhou, Wei and Shao, Zongping. 2021. "High‐performance perovskite composite electrocatalysts enabled by controllable interface engineering." Small. 17 (29), pp. 1-10. https://doi.org/10.1002/smll.202101573
Controllable Polarization and Doping in Ferroelectric In2Se3 Monolayers and Heterobilayers via Intrinsic Defect Engineering
Tang, Cheng, Zhang, Lei, Wijethunge, Dimuthu, Ostrikov, Kostya Ken and Du, Aijun. 2021. "Controllable Polarization and Doping in Ferroelectric In2Se3 Monolayers and Heterobilayers via Intrinsic Defect Engineering." The Journal of Physical Chemistry C: Energy, Materials, and Catalysis. 125 (44), pp. 24648-24654. https://doi.org/10.1021/acs.jpcc.1c07141
Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity
Wijethunge, Dimuthu, Zhang, Lei, Tang, Cheng, Sanvito, Stefano and Du, Aijun. 2021. "Interfacing 2D VS2 with Janus MoSSe: Antiferromagnetic electric polarization and charge transfer driven Half-metallicity." Applied Surface Science. 570. https://doi.org/10.1016/j.apsusc.2021.151129
Prediction of two-dimensional ferroelectric metal Mxenes
Wijethunge, Dimuthu, Zhang, Lei and Du, Aijun. 2021. "Prediction of two-dimensional ferroelectric metal Mxenes." Journal of Materials Chemistry C. 9 (34), pp. 11343-11348. https://doi.org/10.1039/D1TC02213J
Building energy optimization using surrogate model and active sampling
Bamdad, Keivan, Cholette, Michael E. and Bell, John. 2020. "Building energy optimization using surrogate model and active sampling ." Journal of Building Performance Simulation. 13 (6), pp. 760-776. https://doi.org/10.1080/19401493.2020.1821094
Building Energy Retrofits using Ant Colony Optimisation
Bamdad, Keivan, Cholette, Michael E., Guan, Lisa and Bell, John. 2017. "Building Energy Retrofits using Ant Colony Optimisation." Healthy Buildings Europe Conference 2017. Lublin, Poland 02 - 05 Jul 2017 Herndon, United States.
Naphthalimide end capped anthraquinone based solution-processable n-channel organic semiconductors: effect of alkyl chain engineering on charge transport
Do, Thu-Trang, Takeda, Yasunori, Manzhos, Sergei, Bell, John, Tokito, Shizuo and Sonar, Prashant. 2018. "Naphthalimide end capped anthraquinone based solution-processable n-channel organic semiconductors: effect of alkyl chain engineering on charge transport." Journal of Materials Chemistry C. 6 (14), pp. 3774-3786. https://doi.org/10.1039/c7tc05172g
9-Fluorenone and 9,10-anthraquinone potential fused aromatic building blocks to synthesize electron acceptors for organic solar cells
Do, Thu Trang, Rundel, Kira, Gu, Qinying, Gann, Eliot, Manzhos, Sergei, Feron, Krishna, Bell, John, McNeill, Christopher R and Sonar, Prashant. 2017. "9-Fluorenone and 9,10-anthraquinone potential fused aromatic building blocks to synthesize electron acceptors for organic solar cells." New Journal of Chemistry: a journal for new directions in chemistry. 41 (8), pp. 2899-2909. https://doi.org/10.1039/c6nj03938c
Naphthalimide end-capped diphenylacetylene a versatile organic semiconductor for blue light emitting diodes and a donor or an acceptor for solar cells
Do, Thu-Trang, Chavhan, Sudam, Subbiah, Jegadesan, Ou, Tsu-Hao, Manzhos, Sergei, Jones, David, Bell, John M., Jou, Jwo-Huei and Sonar, Prashant. 2019. "Naphthalimide end-capped diphenylacetylene a versatile organic semiconductor for blue light emitting diodes and a donor or an acceptor for solar cells." New Journal of Chemistry: a journal for new directions in chemistry. 43 (23), pp. 9243-9254. https://doi.org/10.1039/c8nj06496b
From nanometre to millimetre: a range of capabilities for plasma-enabled surface functionalization and nanostructuring
Baranov, O., Levchenko, I., Bell, J. M., Lim, J. W. M., Huang, S., Xu, L., Wang, B., Aussems, D. U. B., Xu, S. and Bazaka, K.. 2018. "From nanometre to millimetre: a range of capabilities for plasma-enabled surface functionalization and nanostructuring." Materials Horizons. 5 (5), pp. 765-798. https://doi.org/10.1039/c8mh00326b
Semi-empirical estimation of the attenuation loss for amorphous ZBLAN glass
Ong, Teng-Cheong, Steinberg, Theodore A., Jaatinen, Esa and Bell, John. 2019. "Semi-empirical estimation of the attenuation loss for amorphous ZBLAN glass." Optical and Quantum Electronics. 51 (8). https://doi.org/10.1007/s11082-019-1979-5
Atomic-scale investigation on the ultra-large bending behaviours of layered sodium titanate nanowires
Liu, Qiong, Zhan, Haifei, Zhu, Huaiyong, Sun, Ziqi, Bell, John, Bo, Arixin and Gu, Yuantong. 2019. "Atomic-scale investigation on the ultra-large bending behaviours of layered sodium titanate nanowires." Nanoscale. 11 (24), pp. 11847-11855. https://doi.org/10.1039/c9nr02082a
In situ atomic-scale study on the ultralarge bending behaviors of TiO2-B/Anatase dual-Phase nanowires
Liu, Qiong, Zhan, Haifei, Zhu, Huaiyong, Liu, Hongwei, Sun, Ziqi, Bell, John, Bo, Arixin and Gu, Yuantong. 2019. "In situ atomic-scale study on the ultralarge bending behaviors of TiO2-B/Anatase dual-Phase nanowires." Nano Letters: a journal dedicated to nanoscience and nanotechnology. 19 (11), pp. 7742-7749. https://doi.org/10.1021/acs.nanolett.9b02685
Diketopyrrolopyrrole based organic semiconductors with different numbers of thiophene units: Symmetry tuning effect on electronic devices
Liu, Qian, Surendran, Abhijith, Feron, Krishna, Manzhos, Sergei, Jiao, Xuechen, McNeill, Christopher R, Bottle, Steven E, Bell, John, Leong, Wei Lin and Sonar, Prashant. 2018. "Diketopyrrolopyrrole based organic semiconductors with different numbers of thiophene units: Symmetry tuning effect on electronic devices." New Journal of Chemistry: a journal for new directions in chemistry. 42 (6), pp. 4017-4028. https://doi.org/10.1039/c7nj03505e
Prospects of e-beam evaporated molybdenum oxide as a hole transport layer for perovskite solar cells
Ali, F., Khoshsirat, N., Lipton-Duffin, J., Wang, H., Ostrikov, K., Bell, J. M. and Tesfamichael, T.. 2017. "Prospects of e-beam evaporated molybdenum oxide as a hole transport layer for perovskite solar cells." Journal of Applied Physics. 122 (12). https://doi.org/10.1063/1.4996784
A facile, environmentally friendly synthesis of strong photo-emissive methylammonium lead bromide perovskite nanocrystals enabled by ionic liquids
Hoang, Minh Tam, Pham, Ngoc Du, Yang, Yang, Tiong, Vincent Tiing, Zhang, Chao, Gui, Ke, Chen, Hong, Chang, Jin, Wang, Jianpu, Golberg, Dmitri, Bell, John and Wang, Hongxia. 2020. "A facile, environmentally friendly synthesis of strong photo-emissive methylammonium lead bromide perovskite nanocrystals enabled by ionic liquids." Green Chemistry. 22 (11), pp. 3433-3440. https://doi.org/10.1039/d0gc01081b
The light attracting effect of pyridine derivatives based quasi-solid electrolyte in dye-sensitized solar cell
Cai, Molang, Bell, John and Dai, Songyuan. 2016. "The light attracting effect of pyridine derivatives based quasi-solid electrolyte in dye-sensitized solar cell." Journal of Nanoscience and Nanotechnology. 16 (6), pp. 5770-5775. https://doi.org/10.1166/jnn.2016.12050
Atomistic investigation into the mechanical behaviour of crystalline and amorphous TiO2 nanotubes
Xu, Yanan, Wang, Mingchao, Hu, Ning, Bell, John and Yan, Cheng. 2016. "Atomistic investigation into the mechanical behaviour of crystalline and amorphous TiO2 nanotubes." RSC Advances: an international journal to further the chemical sciences. 6 (33), pp. 28121-28129. https://doi.org/10.1039/c5ra27268h
Fly compound-eye inspired inorganic nanostructures with extraordinary visible-light responses
Sun, Ziqi, Liao, Ting, Sheng, Liyuan, Kim, Jung Ho, Dou, Shi Xue and Bell, John. 2016. "Fly compound-eye inspired inorganic nanostructures with extraordinary visible-light responses." Materials Today Chemistry. 1-2, pp. 84-89. https://doi.org/10.1016/j.mtchem.2016.11.001
Enhanced perovskite electronic properties via a modified lead(ii) chloride Lewis acid-base adduct and their effect in high-efficiency perovskite solar cells
Pham, Ngoc Duy, Tiong, Vincent Tiing, Chen, Peng, Wang, Lianzhou, Wilson, Gregory J., Bell, John and Wang, Honxia. 2017. "Enhanced perovskite electronic properties via a modified lead(ii) chloride Lewis acid-base adduct and their effect in high-efficiency perovskite solar cells." Journal of Materials Chemistry A. 5 (10), pp. 5195-5203. https://doi.org/10.1039/c6ta11139d
First-principles prediction of spin-polarized multiple dirac rings in manganese fluoride
Jiao, Yalong, Ma, Fengxian, Zhang, Chunmei, Bell, John, Sanvito, Stefano and Du, Aijun. 2017. "First-principles prediction of spin-polarized multiple dirac rings in manganese fluoride." Physical Review Letters. 119 (1). https://doi.org/10.1103/PhysRevLett.119.016403
Graphene coating makes copper more resistant to plastic deformation
Zhu, Xiaofei, Zhao, Yinbo, Ma, Laipeng, Zhang, Guangping, Ren, Weicai, Peng, Xianghe, Hu, Ning, Rintoul, Llew, Bell, John M. and Yan, Cheng. 2019. "Graphene coating makes copper more resistant to plastic deformation." Composites Communications. 12, pp. 106-111. https://doi.org/10.1016/j.coco.2019.01.006
2-methylimidazole-derived Ni-Co layered double hydroxide nanosheets as high rate capability and high energy density storage material in hybrid supercapacitors
Wang, Teng, Zhang, Shengli, Yan, Xingbin, Lyu, Miaoqiang, Wang, Lianzhou, Bell, John and Wang, Hongxia. 2017. "2-methylimidazole-derived Ni-Co layered double hydroxide nanosheets as high rate capability and high energy density storage material in hybrid supercapacitors." ACS Applied Materials and Interfaces. 9 (18), pp. 15510-15524. https://doi.org/10.1021/acsami.7b02987
High capacitive amorphous barium nickel phosphate nanofibers for electrochemical energy storage
Wang, Teng, Hao, Qingli, Liu, Jinzhang, Zhao, Jiachang, Bell, John and Wang, Hongxia. 2016. "High capacitive amorphous barium nickel phosphate nanofibers for electrochemical energy storage." RSC Advances: an international journal to further the chemical sciences. 6 (51), pp. 45986-45992. https://doi.org/10.1039/c6ra08149e
Two-dimensional fluorine-free mesoporous Mo2C MXene via UV-induced selective etching of Mo2Ga2C for energy storage
Mei, Jun, Ayoko, Godwin A., Hu, Chunfeng, Bell, John M. and Sun, Ziqi. 2020. "Two-dimensional fluorine-free mesoporous Mo2C MXene via UV-induced selective etching of Mo2Ga2C for energy storage." Sustainable Materials and Technologies. 25. https://doi.org/10.1016/j.susmat.2020.e00156
Bioinspired 2D Nanomaterials for Sustainable Applications
Zhang, Yuanwen, Mei, Jun, Yan, Cheng, Liao, Ting, Bell, John and Sun, Ziqi. 2020. "Bioinspired 2D Nanomaterials for Sustainable Applications." Advanced Materials. 32 (18), pp. 1-9. https://doi.org/10.1002/adma.201902806
Effect of different thermo-treatment at relatively low temperatures on the properties of indium tin-oxide thin films
Zhang, Shengli, Wang, Teng, Lin, Shuping, Zhang, Yi, Tesfamichael, Tuquabo, Bell, John and Wang, Hongxia. 2017. "Effect of different thermo-treatment at relatively low temperatures on the properties of indium tin-oxide thin films." Thin Solid Films. 636, pp. 702-709. https://doi.org/10.1016/j.tsf.2017.07.022
Thermal effect on CZTS solar cells in different process of ZnO/ITO window layer fabrication
Zhang, Shengli, Pham, Ngoc Duy, Tesfamichael, Tuquabo, Bell, John and Wang, Hongxia. 2018. "Thermal effect on CZTS solar cells in different process of ZnO/ITO window layer fabrication." Sustainable Materials and Technologies. 18, pp. 1-8. https://doi.org/10.1016/j.susmat.2018.e00078
Thermal conductivity of a new carbon nanotube analog: The diamond nanothread
Zhan, Haifei, Zhang, Gang, Zhang, Yingyan, Tan, V.B.C., Bell, John M. and Gu, Yuantong. 2016. "Thermal conductivity of a new carbon nanotube analog: The diamond nanothread." Carbon. 98, pp. 232-237. https://doi.org/10.1016/j.carbon.2015.11.012
From brittle to ductile: a structure dependent ductility of diamond nanothread
Zhan, Haifei, Zhang, Gang, Tan, Vincent B. C., Cheng, Yuan, Bell, John M., Zhang, Yong-Wei and Gu, Yuantong. 2016. "From brittle to ductile: a structure dependent ductility of diamond nanothread." Nanoscale. 8 (21), pp. 11177-11184. https://doi.org/10.1039/c6nr02414a
Diamond nanothread as a new reinforcement for nanocomposites
Zhan, haifei, Zhang, Gang, Tan, Vincent B. C., Cheng, Yuan, Bell, John M., Zhang, Yong-Wei and Gu, Yuantong. 2016. "Diamond nanothread as a new reinforcement for nanocomposites." Advanced Functional Materials. 26 (29), pp. 5279-5283. https://doi.org/10.1002/adfm.201600119
The morphology and temperature dependent tensile properties of diamond nanothreads
Zhan, Haifei, Zhang, Gang, Bell, John M. and Gu, Yuantong. 2016. "The morphology and temperature dependent tensile properties of diamond nanothreads." Carbon. 107, pp. 304-309. https://doi.org/10.1016/j.carbon.2016.06.006
Thermal Transport in 3D Nanostructures
Zhan, Haifei, Nie, Yihan, Chen, Yongnan, Bell, John M. and Gu, Yuantong. 2020. "Thermal Transport in 3D Nanostructures." Advanced Functional Materials. 30 (8), pp. 1-30. https://doi.org/10.1002/adfm.201903841
Octadecylamine-functionalized single-walled carbon nanotubes for facilitating the formation of a monolithic perovskite layer and stable solar cells
Tiong, Vincent Tiing, Pham, Ngoc Duy, Wang, Teng, Zhu, Tianxiang, Zhao, Xinluo, Zhang, Yaohong, Shen, Qing, Bell, John, Hu, Linhua, Dai, Songyuan and Wang, Hongxia. 2018. "Octadecylamine-functionalized single-walled carbon nanotubes for facilitating the formation of a monolithic perovskite layer and stable solar cells." Advanced Functional Materials. 28 (10). https://doi.org/10.1002/adfm.201705545
Morphology evolution and stability of Cu2ZnSnS4 nanocrystals in sodium halides salt solution
Tiong, Vincent Tiing, Hreid, Tubushin, Zhang, Shengli, Bell, John and Wang, Hongxia. 2016. "Morphology evolution and stability of Cu2ZnSnS4 nanocrystals in sodium halides salt solution." Thin Solid Films. 615, pp. 305-310. https://doi.org/10.1016/j.tsf.2016.07.045
The potential for cool roofs to improve the energy efficiency of single storey warehouse-type retail buildings in Australia: A simulation case study
Seifhashemi, M., Capra, B. R., Miller, W. and Bell, J.. 2018. "The potential for cool roofs to improve the energy efficiency of single storey warehouse-type retail buildings in Australia: A simulation case study." Energy and Buildings. 158, pp. 1393-1403. https://doi.org/10.1016/j.enbuild.2017.11.034
Suppression effects of cooling rate on crystallization in ZBLAN glass
Ong, Teng-Cheong, Steinberg, Ted, Jaatinen, Esa and Bell, John. 2018. "Suppression effects of cooling rate on crystallization in ZBLAN glass." Journal of Non-Crystalline Solids. 481, pp. 306-313. https://doi.org/10.1016/j.jnoncrysol.2017.11.003
Suppression of crystallization in ZBLAN glass by rapid heating and cooling processing
Ong, Teng-Cheong, Fogarty, Ben, Steinberg, Ted, Jaatinen, Esa and Bell, John. 2019. "Suppression of crystallization in ZBLAN glass by rapid heating and cooling processing." International Journal of Applied Glass Science. 10 (3), pp. 391-400. https://doi.org/10.1111/ijag.13096
Cobalt oxide-based nanoarchitectures for electrochemical energy applications
Mei, Jun, Liao, Ting, Ayoko, Godwin A., Bell, John and Sun, Ziqi. 2019. "Cobalt oxide-based nanoarchitectures for electrochemical energy applications." Progress in Materials Science. 103, pp. 596-677. https://doi.org/10.1016/j.pmatsci.2019.03.001
Tuning the charge carrier polarity of organic transistors by varying the electron affinity of the flanked units in diketopyrrolopyrrole-based copolymers
Liu, Qian, Wang, Yang, Kohara, Akihiro, Matsumoto, Hidetoshi, Manzhos, Sergei, Feron, Krishna, Bottle, Steven E., Bell, John, Michinobu, Tsuyoshi and Sonar, Prashant. 2020. "Tuning the charge carrier polarity of organic transistors by varying the electron affinity of the flanked units in diketopyrrolopyrrole-based copolymers." Advanced Functional Materials. 30 (7). https://doi.org/10.1002/adfm.201907452
Naphthalene flanked diketopyrrolopyrrole: A new DPP family member and its comparative optoelectronic properties with thiophene- and furan- flanked DPP counterparts
Liu, Qian, Sun, Huabin, Ponnappa, Supreetha Paleyanda, Feron, Krishna, Manzhos, Sergei, Jones, Michael W.M., Bottle, Steven E., Bell, John, Noh, Yong-Young and Sonar, Prashant. 2019. "Naphthalene flanked diketopyrrolopyrrole: A new DPP family member and its comparative optoelectronic properties with thiophene- and furan- flanked DPP counterparts." Organic Electronics. 74, pp. 290-298. https://doi.org/10.1016/j.orgel.2019.07.017
Naphthalene flanked diketopyrrolopyrrole based organic semiconductors for high performance organic field effect transistors
Liu, Qian, Sun, Huabin, Blaikie, Chula, Caporale, Chiara, Manzhos, Sergei, Feron, Krishna, MacLeod, Jennifer M., Massi, Massimiliano, Bottle, Steven E., Bell, John, Noh, Yong-Young and Sonar, Prashant. 2018. "Naphthalene flanked diketopyrrolopyrrole based organic semiconductors for high performance organic field effect transistors." New Journal of Chemistry: a journal for new directions in chemistry. 42 (15), pp. 12374-12385. https://doi.org/10.1039/c8nj01453a
High density mechanical energy storage with carbon nanothread bundle
Zhan, Haifei, Zhang, Gang, Bell, John M., Tan, Vincent B. C. and Gu, Yuantong. 2020. "High density mechanical energy storage with carbon nanothread bundle." Nature Communications. 11 (1). https://doi.org/10.1038/s41467-020-15807-7
Synergistic use of pyridine and selenophene in a diketopyrrolopyrrole-based conjugated polymer enhances the electron mobility in organic transistors
Liu, Qian, Kumagai, Shohei, Manzhos, Sergei, Chen, Yingqian, Angunawela, Indunil, Nahid, Masrur Morshed, Feron, Krishna, Bottle, Steven E, Bell, John, Ade, Harald, Takeya, Jun and Sonar, Prashant. 2020. "Synergistic use of pyridine and selenophene in a diketopyrrolopyrrole-based conjugated polymer enhances the electron mobility in organic transistors." Advanced Functional Materials. 34 (1). https://doi.org/10.1002/adfm.202000489
Oriented graphenes from plasma-reformed coconut oil for supercapacitor electrodes
Kumar, Shailesh, Martin, Phil, Bendavid, Avi, Bell, John and Ostrikov, Kostya (Ken). 2019. "Oriented graphenes from plasma-reformed coconut oil for supercapacitor electrodes." Nanomaterials. 9 (12). https://doi.org/10.3390/nano9121679
Predicting single-layer technetium dichalcogenides (TcX2, X = S, Se) with promising applications in photovoltaics and photocatalysis
Jiao, Yalong, Zhou, Liujiang, Ma, Fengxian, Gao, Guoping, Kou, Liangzhi, Bell, John, Sanvito, Stefano and Du, Aijun. 2016. "Predicting single-layer technetium dichalcogenides (TcX2, X = S, Se) with promising applications in photovoltaics and photocatalysis." ACS Applied Materials and Interfaces. 8 (8), pp. 5385-5392. https://doi.org/10.1021/acsami.5b12606
Strain mediated bandgap reduction, light spectrum broadening, and carrier mobility enhancement of methylammonium lead/tin iodide perovskites
Jiao, Yalong, Ma, Fengxian, Wang, Hongxia, Bell, John and Du, Aijun. 2017. "Strain mediated bandgap reduction, light spectrum broadening, and carrier mobility enhancement of methylammonium lead/tin iodide perovskites." Particle and Particle Systems Characterization. 34 (4). https://doi.org/10.1002/ppsc.201600288
Two-dimensional boron hydride sheets: High stability, massless dirac fermions, and excellent mechanical properties
Jiao, Yalong, Ma, Fengxian, Bell, John, Bilic, Ante and Du, Aijun. 2016. "Two-dimensional boron hydride sheets: High stability, massless dirac fermions, and excellent mechanical properties." Angewandte Chemie. 55 (35), pp. 10292-10295. https://doi.org/10.1002/anie.201604369
Phthalimide and naphthalimide: Effect of end-capping groups on molecular properties and photovoltaic performance of 9-fluorenone based acceptors for organic solar cells
Do, Thu-Trang, Subbiah, Jegadesan, Manzhos, Sergei, Jones, David J, Bell, John M and Sonar, Prashant. 2018. "Phthalimide and naphthalimide: Effect of end-capping groups on molecular properties and photovoltaic performance of 9-fluorenone based acceptors for organic solar cells." Organic Electronics. 62, pp. 12-20. https://doi.org/10.1016/j.orgel.2018.06.040
Molecular engineering strategy for high efficiency fullerene-free organic solar cells using conjugated 1,8-naphthalimide and fluorenone building blocks
Do, Thu Trang, Pham, Hong Duc, Manzhos, Sergei, Bell, John M and Sonar, Prashant. 2017. "Molecular engineering strategy for high efficiency fullerene-free organic solar cells using conjugated 1,8-naphthalimide and fluorenone building blocks." ACS Applied Materials and Interfaces. 9 (20), pp. 16967-16976. https://doi.org/10.1021/acsami.6b16395
Vinylene and benzo[c] [1,2,5]thiadiazole: Effect of the pi-spacer unit on the properties of bis(2-oxoindolin-3-ylidene)-benzodifuran-dione containing polymers for n-channel organic field-effect transistors
Do, Thu Trang, Patil, Basanagouda B, Singh, Samarendra P, Yambem, Soniya D, Feron, Krishna, Ostrikov, Kostya (Ken), Bell, John M and Sonar, Prashant. 2018. "Vinylene and benzo[c] [1,2,5]thiadiazole: Effect of the pi-spacer unit on the properties of bis(2-oxoindolin-3-ylidene)-benzodifuran-dione containing polymers for n-channel organic field-effect transistors." RSC Advances: an international journal to further the chemical sciences. 8 (68), pp. 38919-38928. https://doi.org/10.1039/c8ra08890j
Indenofluorene-based-copolymers: Influence of electron-deficient benzothiadiazole (BT) and benzooxadiazole (BO) moieties on light emitting devices
Do, Thu-Trang, Matsuki, Keiichiro, Sakanoue, Tomo, Wong, Fu-Lung, Manzhos, Sergei, Lee, Chun-Sing, Bell, John, Takenobu, Taishi and Sonar, Prashant. 2019. "Indenofluorene-based-copolymers: Influence of electron-deficient benzothiadiazole (BT) and benzooxadiazole (BO) moieties on light emitting devices." Organic Electronics. 70, pp. 14-24. https://doi.org/10.1016/j.orgel.2019.03.050
Microstructure and mechanical properties of titanium/steel bimetallic joints
Chu, Qiaoling, Bai, Ruixiang, Zhang, Min, Li, Jihong, Lei, Zhenkun, Hu, Ning, Bell, John M and Yan, Cheng. 2017. "Microstructure and mechanical properties of titanium/steel bimetallic joints." Materials Characterization. 132, pp. 330-337. https://doi.org/10.1016/j.matchar.2017.08.025
Correction: Naphthalene flanked diketopyrrolopyrrole based organic semiconductors for high performance organic field effect transistors (New Journal of Chemistry (2018) 42 (12374–12385) DOI: 10.1039/C8NJ01453A)
Liu, Qian, Sun, Huabin, Blaikie, Chula, Caporale, Chiara, Manzhos, Sergei, Feron, Krishna, MacLeod, Jennifer M., Massi, Massimiliano, Bottle, Steven E., Bell, John, Noh, Yong-Young and Sonar, Prashant. 2018. "Correction: Naphthalene flanked diketopyrrolopyrrole based organic semiconductors for high performance organic field effect transistors (New Journal of Chemistry (2018) 42 (12374–12385) DOI: 10.1039/C8NJ01453A)." New Journal of Chemistry: a journal for new directions in chemistry. 42 (19), p. 16384. https://doi.org/10.1039/C8NJ90083C
Benefit assessment of battery plus solar for customers and the grid
Boulaire, Fanny, Narimani, Afsaneh, Bell, John, Drogemuller, Robin, Vine, Desley, Buys, Laurie and Walker, Geoffrey. 2019. "Benefit assessment of battery plus solar for customers and the grid." Energy Strategy Reviews. 26. https://doi.org/10.1016/j.esr.2019.100372
Atypical defect motions in brittle layered sodium titanate nanowires
Bo, Arixin, Chen, Kai, Pickering, Edmund, Zhan, Haifei, Bell, John, Du, Aijun, Zhang, Yongqiang, Wang, Xiaoguang, Zhu, Huaiyong, Shan, Zhiwei and Gu, Yuantong. 2018. "Atypical defect motions in brittle layered sodium titanate nanowires." Journal of Physical Chemistry Letters. 9 (20), pp. 6052-6059. https://doi.org/10.1021/acs.jpclett.8b02349
Building energy optimisation under uncertainty using ACOMV algorithm
Bamdad, Keivan, Cholette, Michael E, Guan, Lisa and Bell, John. 2018. "Building energy optimisation under uncertainty using ACOMV algorithm." Energy and Buildings. 167, pp. 322-333. https://doi.org/10.1016/j.enbuild.2018.02.053
Ant colony algorithm for building energy optimisation problems and comparison with benchmark algorithms
Bamdad, Keivan, Cholette, Michael E, Guan, Lisa and Bell, John. 2017. "Ant colony algorithm for building energy optimisation problems and comparison with benchmark algorithms." Energy and Buildings. 154, pp. 404-414. https://doi.org/10.1016/j.enbuild.2017.08.071
Low hysteresis perovskite solar cells using an electron-beam evaporated WO3-x thin film as the electron transport layer
Ali, Fawad, Pham, Ngoc Duy, Fan, Lijuan, Tiong, Vincent, Ostrikov, Ken, Bell, John M., Wang, Hongxia and Tesfamichael, Tuquabo. 2019. "Low hysteresis perovskite solar cells using an electron-beam evaporated WO3-x thin film as the electron transport layer." ACS Applied Energy Materials. 2 (8), pp. 5456-5464. https://doi.org/10.1021/acsaem.9b00547
Tuning the amount of oxygen vacancies in sputter-deposited SnOx films for enhancing the performance of perovskite solar cells
Ali, Fawad, Pham, Ngoc Duy, Bradford, H. Jonathan, Khoshsirat, Nima, Ostrikov, Ken, Bell, John M, Wang, Hongxia and Tesfamichael, Tuquabo. 2018. "Tuning the amount of oxygen vacancies in sputter-deposited SnOx films for enhancing the performance of perovskite solar cells." ChemSusChem: chemistry and sustainability, energy and materials. 11 (18), pp. 3096-3103. https://doi.org/10.1002/cssc.201801541
Stretchable respiration sensors: Advanced designs and multifunctional platforms for wearable physiological monitoring
Dinh, Toan, Nguyen, Thanh, Phan, Hoang-Phuong, Nguyen, Nam-Trung, Dao, Dzung Viet and Bell, John. 2020. "Stretchable respiration sensors: Advanced designs and multifunctional platforms for wearable physiological monitoring." Biosensors and Bioelectronics. 166. https://doi.org/10.1016/j.bios.2020.112460
Metal-free graphene/boron nitride heterointerface for CO2 reduction: Surface curvature controls catalytic activity and selectivity
Mao, Xin, Wijethunge, Dimuthu, Zhang, Lei, Wang, Sufan, Yan, Cheng, Zhu, Zhonghua and Du, Aijun. 2020. "Metal-free graphene/boron nitride heterointerface for CO2 reduction: Surface curvature controls catalytic activity and selectivity." Ecomat. 2 (1). https://doi.org/10.1002/eom2.12013
Computational screening of MN 4 (M= Ti–Cu) based metal organic frameworks for CO 2 reduction using the d-band centre as a descriptor
Mao, Mao, Tang, Cheng, He, Tianwei, Wijethunge, Dimuthu, Yan, Cheng, Zhu, Zhonghua and Du, Aijun. 2020. "Computational screening of MN 4 (M= Ti–Cu) based metal organic frameworks for CO 2 reduction using the d-band centre as a descriptor." Nanoscale. 12 (10), pp. 6188-6194. https://doi.org/10.1039/C9NR09529B
Bandstructure engineering in 2D materials using Ferroelectric materials
Wijethunge, Dimuthu, Tang, Cheng, Zhang, Chunmei, Zhang, Lei, Mao, Xin and Du, Aijun. 2020. "Bandstructure engineering in 2D materials using Ferroelectric materials." Applied Surface Science. 513. https://doi.org/10.1016/j.apsusc.2020.145817
Tuning band alignment and optical properties of 2D van der Waals heterostructure via ferroelectric polarization switching
Wijethunge, Dimuthu, Zhang, Lei, Tang, Cheng and Du, Aijun. 2020. "Tuning band alignment and optical properties of 2D van der Waals heterostructure via ferroelectric polarization switching." Frontiers of Physics. 15. https://doi.org/10.1007/s11467-020-0987-z
Vertically-aligned carbon nanotube membranes for hydrogen separation
Ge, Lei, Wang, Li, Du, Aijun, Hou, Meng, Rudolph, Victor and Zhu, Zhonghua. 2012. "Vertically-aligned carbon nanotube membranes for hydrogen separation." RSC Advances: an international journal to further the chemical sciences. 2 (12), pp. 5329-5336. https://doi.org/10.1039/c2ra00031h
Enhanced hydrogen separation by vertically-aligned carbon nanotube membranes with zeolite imidazolate frameworks as a selective layer
Ge, Lei, Du, Aijun, Hou, Meng, Rudolph, Victor and Zhu, Zhonghua. 2012. "Enhanced hydrogen separation by vertically-aligned carbon nanotube membranes with zeolite imidazolate frameworks as a selective layer." RSC Advances: an international journal to further the chemical sciences. 2 (31), pp. 11793-11800. https://doi.org/10.1039/c2ra21460a
Porous polyethersulfone-supported zeolitic imidazolate framework membranes for hydrogen separation
Ge, Lei, Zhou, Wei, Du, Aijun and Zhu, Zhonghua. 2012. "Porous polyethersulfone-supported zeolitic imidazolate framework membranes for hydrogen separation." The Journal of Physical Chemistry C: Energy, Materials, and Catalysis. 116 (24), pp. 13264-13270. https://doi.org/10.1021/jp3035105
Strained graphitic carbon nitride for hydrogen purification
de Silva, S. W., Du, A., Senadeera, W. and Gu, Y.. 2017. "Strained graphitic carbon nitride for hydrogen purification." Journal of Membrane Science. 528, pp. 201-205. https://doi.org/10.1016/j.memsci.2017.01.034
Neutral and charged boron-doped fullerenes for CO2 adsorption
de Silva, Suchitra W., Du, Aijun, Senadeera, Wijitha and Gu, YuanTong. 2014. "Neutral and charged boron-doped fullerenes for CO2 adsorption." Beilstein Journal of Nanotechnology. 5, pp. 413-418. https://doi.org/10.3762/bjnano.5.49
Investigation on Temperature-Dependent Electrical Conductivity of Carbon Nanotube/Epoxy Composites for Sustainable Energy Applications
Njuguna, Michael K., Galpaya, Dilini, Yan, Cheng, Colwell, Colwell, Will, Geoffrey, Hu, Ning, Yarlagadda, Prasad and Bell, John M.. 2015. "Investigation on Temperature-Dependent Electrical Conductivity of Carbon Nanotube/Epoxy Composites for Sustainable Energy Applications." Journal of Nanoscience and Nanotechnology. 15 (9), pp. 6957-6964. https://doi.org/10.1166/jnn.2015.10514
Ethanol sensitivity of thermally evaporated nanostructured WO3 thin films doped and implanted with Fe
Ahsan, M., Ahmad, M. Z., Tesfamichael, T., Bell, J. and Yarlagadda, Prasad K. D. V.. 2013. "Ethanol sensitivity of thermally evaporated nanostructured WO3 thin films doped and implanted with Fe." 2nd International Conference on Measurement, Instrumentation and Automation (ICMIA 2013). China 23 - 24 Apr 2013 Scientific.Net. https://doi.org/10.4028/www.scientific.net/AMM.333-335.1938