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30 Apr 07:18

[ASAP] Mechanism of MoS2 Growth on a Au(111) Surface: An Ab Initio Molecular Dynamics Study

by Peng Shao, Li-Ping Ding, and Feng Ding

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.1c00116
29 Apr 14:50

Accelerating organic solar cell material’s discovery: high-throughput screening and big data

Energy Environ. Sci., 2021, Accepted Manuscript
DOI: 10.1039/D1EE00559F, Review Article
Open Access Open Access
Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Xabier Rodríguez-Martínez, Enrique Pascual San José, Mariano Campoy-Quiles
The discovery of novel high-performing materials such as non-fullerene acceptors and low band gap donor polymers underlines the steady increase of record efficiencies in organic solar cells witnessed during the...
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29 Apr 14:50

Machine learning-assisted development of organic photovoltaics via high-throughput in-situ formulation

Energy Environ. Sci., 2021, Accepted Manuscript
DOI: 10.1039/D1EE00641J, Paper
Na Gyeong An, Doojin Vak, Jin Young Kim
Discovery of high-performance non-fullerene acceptors and ternary blend systems have resulted in a breakthrough in the efficiency of organic photovoltaics (OPVs) and created new opportunities for commercialization. However, manufacturing technology...
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29 Apr 14:50

Durability of anion exchange membrane water electrolyzers

Energy Environ. Sci., 2021, 14,3393-3419
DOI: 10.1039/D0EE04086J, Perspective
Open Access Open Access
Dongguo Li, Andrew R. Motz, Chulsung Bae, Cy Fujimoto, Gaoqiang Yang, Feng-Yuan Zhang, Katherine E. Ayers, Yu Seung Kim
Understanding the durability-limiting factors of anion exchange membrane water electrolyzers operating under pure water-, KOH- and K2CO3-fed conditions.
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22 Apr 07:49

[ASAP] Optimized MoP with Pseudo-Single-Atom Tungsten for Efficient Hydrogen Electrocatalysis

by Changli Chen, Wenjia Luo, Haijing Li, Tao Hu, Yizhou Zhao, Zipeng Zhao, Xiaolong Sun, Huachao Zai, Yifei Qi, Menghao Wu, Yuanyuan Dong, Juncai Dong, Wenxing Chen, Xiaoxing Ke, Manling Sui, Liqiang Zhang, Qi Chen, Ziyu Wang, Enbo Zhu, Yujing Li, and Yu Huang

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.1c00465
22 Apr 07:49

Tremendously Enhanced Photocurrent Enabled by Triplet-Triplet Annihilation Up-Conversion for High-Performance Perovskite Solar Cells

Energy Environ. Sci., 2021, Accepted Manuscript
DOI: 10.1039/D1EE00631B, Paper
Wangping Sheng, Jia Yang, Xiang Li, Gengling Liu, Zhuojia Lin, Juan Long, Shuqin Xiao, Licheng Tan, Yiwang Chen
The limited solar spectra utilization hinders the further amelioration of perovskite solar cells (PVSCs) performance. Up-conversion (UC) process extends the spectral absorption of PVSCs from visible to near-infrared (NIR) range...
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22 Apr 07:49

Modulating perovskite crystallization process towards highly efficient and stable perovskite solar cells via MXene quantum dots modified SnO2

Energy Environ. Sci., 2021, Accepted Manuscript
DOI: 10.1039/D1EE00056J, Paper
Yingguo Yang, Haizhou Lu, Shanglei Feng, Lifeng Yang, Hua Dong, Jiaou Wang, Chen Tian, Lina Li, Hong-Liang Lu, Jaeki Jeong, Shaik Mohammed Zakeeruddin, Yuhang Liu, Michael Grätzel, Anders Hagfeldt
Abstract: Nanocrystalline tin (IV) oxide (SnO2) electron-transport layers (ETL) have shown great potential for achieving highly efficient, stable perovskite solar cells (PSCs), especially for the low-temperature processed flexible PSCs. Recently,...
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22 Apr 07:48

Origin of the low conversion efficiency in Cu2ZnSnS4 kesterite solar cells: the actual role of cation disorder

Energy Environ. Sci., 2021, Accepted Manuscript
DOI: 10.1039/D1EE00260K, Paper
Wei Chen, Diana Faraj Dahliah, Gian-Marco Rignanese, Geoffroy Hautier
The controversial role of cation disorder in the extraordinarily low open-circuit voltage (VOC) of Cu2ZnSnS4 (CZTS) kesterite absorber is examined through a statistical treatment of disorder within the cluster-expansion method....
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22 Apr 07:48

Rational compatibility in ternary matrix enables all-small-molecule organic solar cells with over 16% efficiency

Energy Environ. Sci., 2021, Accepted Manuscript
DOI: 10.1039/D1EE00496D, Paper
Mengyun Jiang, Hairui Bai, Hongfu Zhi, Lu Yan, Han Young Woo, Lijia Tong, Jin-Liang Wang, Fujun Zhang, Qiaoshi An
How to manipulate the phase separation and molecular arrangement to meet the need of efficient charge generation and extraction remains as the long-standing challenge in all-small-molecule organic solar cells (ASM-OSCs)....
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19 Apr 14:10

[ASAP] Gecko’s Feet-Inspired Self-Peeling Switchable Dry/Wet Adhesive

by Yunlei Zhang, Shuanhong Ma, Bin Li, Bo Yu, Haeshin Lee, Meirong Cai, Stanislav N. Gorb, Feng Zhou, and Weimin Liu

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04576
19 Apr 14:10

[ASAP] Quantifying Stabilized Phase Purity in Formamidinium-Based Multiple-Cation Hybrid Perovskites

by Lena Merten, Alexander Hinderhofer, Thomas Baumeler, Neha Arora, Jan Hagenlocher, Shaik Mohammed Zakeeruddin, M. Ibrahim Dar, Michael Grätzel, and Frank Schreiber

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04185
19 Apr 14:09

Charting Lattice Thermal Conductivity for Inorganic Crystals and Discovering Rare Earth Chalcogenides for Thermoelectrics

Energy Environ. Sci., 2021, Accepted Manuscript
DOI: 10.1039/D1EE00442E, Paper
Open Access Open Access
Taishan Zhu, Ran He, Sheng Gong, Tian Xie, Prashun Gorai, Kornelius Nielsch, Jeffrey C. Grossman
Thermoelectricity produced from usually negative-valued heat is a green and promising candidate on the future energy landscape. The most effective thermoelectric materials exhibit low thermal conductivity κ. However, less than...
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19 Apr 14:09

High-Performance Diluted Nickel Nanoclusters Decorating Ruthenium Nanowires for pH-Universal Overall Water Splitting

Energy Environ. Sci., 2021, Accepted Manuscript
DOI: 10.1039/D0EE04028B, Paper
Ting Zhu, Shangheng Liu, Bin Huang, Qi Shao, Man Wang, Fan Li, Xinyue Tan, Yecan Pi, Shih-Chang Weng, Bolong Huang, Zhiwei Hu, Jianbo Wu, Yong Qian, Xiaoqing Huang
Developing a versatile electrocatalyst with remarkable performance viable for pH-universal overall water splitting is increasingly important for the industrial production of renewable energy conversion. Herein, our theoretical calculations predicate that...
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16 Apr 06:39

[ASAP] Controlling Structural and Energetic Disorder in High-Mobility Polymer Semiconductors via Doping with Nitroaromatics

by Pegah Ghamari, Muhammad Rizwan Niazi, and Dmitrii F. Perepichka

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.1c00448
16 Apr 06:38

[ASAP] Single-Step Microfluidic Synthesis of Halide Perovskite Nanolasers in Suspension

by Irina G. Koryakina, Maksim Naumochkin, Daria I. Markina, Soslan A. Khubezhov, Anatoly P. Pushkarev, Anatoly A. Evstrapov, Sergey V. Makarov, and Mikhail V. Zyuzin

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04263
16 Apr 06:38

[ASAP] Ligand Adsorption Energy and the Postpurification Surface Chemistry of Colloidal Metal Chalcogenide Nanocrystals

by Shalini Singh, Jari Leemans, Francesco Zaccaria, Ivan Infante, and Zeger Hens

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04761
15 Apr 06:48

[ASAP] Functional Ion Gels: Versatile Electrolyte Platforms for Electrochemical Applications†

by Yong Min Kim, Won Young Choi, Jin Han Kwon, Jae Kyeong Lee, and Hong Chul Moon

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.1c00330
07 Apr 08:31

Charge pumping enabling Co–NC to outperform benchmark Pt catalyst for pH-universal hydrogen evolution reaction

Energy Environ. Sci., 2021, Advance Article
DOI: 10.1039/D1EE00052G, Paper
Ziliang Chen, Huilin Qing, Ruirui Wang, Renbing Wu
A strategy for charge pumping engineering has been developed to significantly enhance the intrinsic activity of Co-based catalysts, which outperform precious Pt catalysts for the hydrogen evolution reaction over a wide pH range.
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07 Apr 08:31

Towards the digitalisation of porous energy materials: evolution of digital approaches for microstructural design

Energy Environ. Sci., 2021, Advance Article
DOI: 10.1039/D1EE00398D, Review Article
Open Access Open Access
Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Zhiqiang Niu, Valerie J. Pinfield, Billy Wu, Huizhi Wang, Kui Jiao, Dennis Y. C. Leung, Jin Xuan
The digital transformation empowered by artificial intelligence will create huge opportunities for the porous energy materials research community.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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07 Apr 08:30

[ASAP] Precise Control of CsPbBr3 Perovskite Nanocrystal Growth at Room Temperature: Size Tunability and Synthetic Insights

by Alasdair A. M. Brown, Parth Vashishtha, Thomas J. N. Hooper, Yan Fong Ng, Gautam V. Nutan, Yanan Fang, David Giovanni, Ju Nie Tey, Liudi Jiang, Bahulayan Damodaran, Tze Chien Sum, Suan Hui Pu, Subodh G. Mhaisalkar, and Nripan Mathews

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04569
07 Apr 08:30

[ASAP] Effect of Monovalent Metal Iodide Additives on the Optoelectric Properties of Two-Dimensional Sn-Based Perovskite Films

by Youjin Reo, Huihui Zhu, Ji-Young Go, Kyu In Shim, Ao Liu, Taoyu Zou, Haksoon Jung, Hyunjun Kim, Jisu Hong, Jeong Woo Han, and Yong-Young Noh

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04786
07 Apr 08:29

[ASAP] [Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic–Inorganic Perovskite with Multiple Nonlinear Optical Outputs

by Mirosaw Mączka, Jan K. Zaręba, Anna Gągor, Dagmara Stefańska, Maciej Ptak, Krystian Roleder, Dariusz Kajewski, Andrzej Soszyński, Katarzyna Fedoruk, and Adam Sieradzki

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04440
07 Apr 08:29

[ASAP] Atomic Layer Deposition of FeSe2, CoSe2, and NiSe2

by Zheng Guo, Ran Zhao, Shihan Yan, Wei Xiong, Jiahao Zhu, Ke Lu, and Xinwei Wang

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04708
07 Apr 08:28

[ASAP] Understanding the Role of Vanadium Vacancies in BiVO4 for Efficient Photoelectrochemical Water Oxidation

by Thanh Tran-Phu, Zelio Fusco, Iolanda Di Bernardo, Josh Lipton-Duffin, Cui Ying Toe, Rahman Daiyan, Thomas Gengenbach, Chun-Ho Lin, Renheng Bo, Hieu T. Nguyen, Giuseppe M. J. Barca, Tom Wu, Hongjun Chen, Rose Amal, and Antonio Tricoli

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04866
29 Mar 13:43

High-throughput large-area vacuum deposition for high-performance formamidine-based perovskite solar cells

Energy Environ. Sci., 2021, Advance Article
DOI: 10.1039/D1EE00634G, Communication
Jiangshan Feng, Yuxiao Jiao, Hui Wang, Xuejie Zhu, Youming Sun, Minyong Du, Yuexian Cao, Dong Yang, Shengzhong (Frank) Liu
An in-vacuum low-temperature annealing process is developed to make high-density formamidine-based perovskite films. When the temperature is optimized, the efficiency increases to 21.32%, the highest value for a PSC fabricated with vacuum deposition.
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29 Mar 13:42

[ASAP] Multicomponent Blend Systems Used in Organic Field-Effect Transistors: Charge Transport Properties, Large-Area Preparation, and Functional Devices

by Yuchai Pan and Gui Yu

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.1c00007
25 Mar 07:14

[ASAP] The Role Silver Nanoparticles Plays in Silver-Based Double-Perovskite Nanocrystals

by Shai Levy, Sasha Khalfin, Nicholas G. Pavlopoulos, Yaron Kauffmann, Galit Atiya, Saar Shaek, Shaked Dror, Reut Shechter, and Yehonadav Bekenstein

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04536
25 Mar 07:14

[ASAP] Radically Tunable n-Type Organic Semiconductor via Polymorph Control

by Daniel William Davies, Sang Kyu Park, Prapti Kafle, Hyunjoong Chung, Dafei Yuan, Joseph W. Strzalka, Stefan C. B. Mannsfeld, SuYin Grass Wang, Yu-Sheng Chen, Danielle L. Gray, Xiaozhang Zhu, and Ying Diao

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04678
25 Mar 07:12

[ASAP] Layered Perovskite Doping with Eu3+ and β-diketonate Eu3+ Complex

by Daniele Cortecchia, Wojciech Mróz, Giulia Folpini, Tetiana Borzda, Luca Leoncino, Ada Lili Alvarado-Leaños, Emily Mae Speller, and Annamaria Petrozza

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Chemistry of Materials
DOI: 10.1021/acs.chemmater.0c04097
25 Mar 07:09

Solar photoelectrochemical synthesis of electrolyte-free H2O2 aqueous solution without needing electrical bias and H2

Energy Environ. Sci., 2021, Advance Article
DOI: 10.1039/D0EE03567J, Paper
Tae Hwa Jeon, Bupmo Kim, Chuhyung Kim, Chuan Xia, Haotian Wang, Pedro J. J. Alvarez, Wonyong Choi
An external bias-free photoelectrochemical system containing solid polymer electrolytes achieves efficient and durable synthesis of pure (electrolyte-free) aqueous H2O2 solution.
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