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paper_id
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title
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abstract
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authors
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published_date
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arxiv_1811.01289
arxiv_1811.01289
Epitaxial Synthesis of Blue Phosphorene
Phosphorene is a new two-dimensional material composed of a single or few atomic layers of black phosphorus. Phosphorene has both an intrinsic tunable direct band gap and high carrier mobility values, which make it suitable for a large variety of optical and electronic devices. However, the synthesis of single-layer ph...
[ "Wei Zhang", "Hanna Enriquez", "Yongfeng Tong", "Azzedine Bendounan", "Abdelkader Kara", "Ari P. Seitsonen", "Andrew J. Mayne", "Gérald Dujardin", "Hamid Oughaddou" ]
[ "cond-mat.mtrl-sci" ]
2018-11-03T21:52:21Z
https://arxiv.org/pdf/1811.01289v1
arxiv
10.1002/smll.201804066
null
null
[]
false
false
false
arxiv_2408.08801
arxiv_2408.08801
Fabrication of Spin-1/2 Heisenberg Antiferromagnetic Chains via Combined On-surface Synthesis and Reduction for Spinon Detection
Spin-1/2 Heisenberg antiferromagnetic chains are excellent one-dimensional platforms for exploring quantum magnetic states and quasiparticle fractionalization. Understanding its quantum magnetism and quasiparticle excitation at the atomic scale is crucial for manipulating the quantum spin systems. Here, we report the f...
[ "Xuelei Su", "Zhihao Ding", "Ye Hong", "Nan Ke", "KaKing Yan", "Can Li", "Yifan Jiang", "Ping Yu" ]
[ "cond-mat.mes-hall", "cond-mat.mtrl-sci", "physics.chem-ph", "quant-ph" ]
2024-08-16T15:24:09Z
https://arxiv.org/pdf/2408.08801v1
arxiv
10.1038/s44160-025-00744-4
null
null
[]
false
false
false
arxiv_2101.07385
arxiv_2101.07385
Autonomous synthesis of metastable materials
Autonomous experimentation enabled by artificial intelligence (AI) offers a new paradigm for accelerating scientific discovery. Non-equilibrium materials synthesis is emblematic of complex, resource-intensive experimentation whose acceleration would be a watershed for materials discovery and development. The mapping of...
[ "Sebastian Ament", "Maximilian Amsler", "Duncan R. Sutherland", "Ming-Chiang Chang", "Dan Guevarra", "Aine B. Connolly", "John M. Gregoire", "Michael O. Thompson", "Carla P. Gomes", "R. Bruce van Dover" ]
[ "cond-mat.mtrl-sci", "cs.AI", "cs.LG", "cs.MA", "physics.comp-ph" ]
2021-01-19T00:29:26Z
https://arxiv.org/pdf/2101.07385v2
arxiv
10.1126/sciadv.abg4930
null
null
[]
false
false
false
arxiv_1209.4666
arxiv_1209.4666
Virtual Synthesis of Nanoscale Systems with Pre-Designed Properties: Fundamentals and Applications. Chapter 7. Nickel Oxide Quantum Dots and Polymer Nanowires
The virtual (i.e., fundamental many body quantum theory-based, computational) synthesis method is used to establish electronic templates of about 30 non-stoichiometric nanosystems composed of nickel and oxygen atoms and ranging from about 6 Å to 6 nm in linear dimensions. Flexible and stretchable Ni-O bond in such stru...
[ "Liudmila A. Pozhar" ]
[ "cond-mat.mtrl-sci", "cond-mat.mes-hall", "cond-mat.str-el", "physics.chem-ph" ]
2012-09-20T21:06:55Z
https://arxiv.org/pdf/1209.4666v1
arxiv
null
null
[]
false
false
false
arxiv_2201.09329
arxiv_2201.09329
ULSA: Unified Language of Synthesis Actions for Representation of Synthesis Protocols
Applying AI power to predict syntheses of novel materials requires high-quality, large-scale datasets. Extraction of synthesis information from scientific publications is still challenging, especially for extracting synthesis actions, because of the lack of a comprehensive labeled dataset using a solid, robust, and wel...
[ "Zheren Wang", "Kevin Cruse", "Yuxing Fei", "Ann Chia", "Yan Zeng", "Haoyan Huo", "Tanjin He", "Bowen Deng", "Olga Kononova", "Gerbrand Ceder" ]
[ "cs.LG", "cond-mat.mtrl-sci" ]
2022-01-23T17:44:48Z
https://arxiv.org/pdf/2201.09329v1
arxiv
null
null
[]
false
false
false
arxiv_2506.20189
arxiv_2506.20189
High mechanical strength Si anode synthesis with interlayer bonded expanded graphite structure for lithium-ion batteries
Despite advancements in silicon-based anodes for high-capacity lithium-ion batteries, their widespread commercial adoption is still hindered by significant volume expansion during cycling, especially at high active mass loadings crucial for practical use. The root of these challenges lies in the mechanical instability ...
[ "Wenhui Lai", "Jong Hak Lee", "Lu Shi", "Yuqing Liu", "Yanhui Pu", "Yong Kang Ong", "Carlos Limpo", "Ting Xiong", "Yifan Rao", "Chorng Haur Sow", "Barbaros Özyilmaz" ]
[ "cond-mat.mtrl-sci" ]
2025-06-25T07:29:53Z
https://arxiv.org/pdf/2506.20189v1
arxiv
10.1016/j.jechem.2024.02.021.
null
null
[]
false
false
false
arxiv_2509.17094
arxiv_2509.17094
DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning
The synthesis of crystalline materials, such as zeolites, remains a significant challenge due to a high-dimensional synthesis space, intricate structure-synthesis relationships and time-consuming experiments. Considering the one-to-many relationship between structure and synthesis, we propose DiffSyn, a generative diff...
[ "Elton Pan", "Soonhyoung Kwon", "Sulin Liu", "Mingrou Xie", "Alexander J. Hoffman", "Yifei Duan", "Thorben Prein", "Killian Sheriff", "Yuriy Roman-Leshkov", "Manuel Moliner", "Rafael Gomez-Bombarelli", "Elsa Olivetti" ]
[ "cond-mat.mtrl-sci", "cs.AI", "cs.LG" ]
2025-09-21T14:19:47Z
https://arxiv.org/pdf/2509.17094v2
arxiv
null
null
[]
false
false
false
arxiv_2505.13571
arxiv_2505.13571
Autonomous nanoparticle synthesis by design
Controlled synthesis of materials with specified atomic structures underpins technological advances yet remains reliant on iterative, trial-and-error approaches. Nanoparticles (NPs), whose atomic arrangement dictates their emergent properties, are particularly challenging to synthesise due to numerous tunable parameter...
[ "Andy S. Anker", "Jonas H. Jensen", "Miguel Gonzalez-Duque", "Rodrigo Moreno", "Aleksandra Smolska", "Mikkel Juelsholt", "Vincent Hardion", "Mads R. V. Jorgensen", "Andres Faina", "Jonathan Quinson", "Kasper Stoy", "Tejs Vegge" ]
[ "cond-mat.mtrl-sci", "cond-mat.mes-hall", "cs.LG" ]
2025-05-19T13:19:30Z
https://arxiv.org/pdf/2505.13571v1
arxiv
null
null
[]
false
false
false
arxiv_2009.06739
arxiv_2009.06739
Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning
Predictive materials synthesis is the primary bottleneck in realizing new functional and quantum materials. Strategies for synthesis of promising materials are currently identified by time-consuming trial and error approaches and there are no known predictive schemes to design synthesis parameters for new materials. We...
[ "Pankaj Rajak", "Aravind Krishnamoorthy", "Ankit Mishra", "Rajiv K. Kalia", "Aiichiro Nakano", "Priya Vashishta" ]
[ "cond-mat.mtrl-sci", "cs.LG", "physics.chem-ph" ]
2020-09-14T20:50:45Z
https://arxiv.org/pdf/2009.06739v1
arxiv
null
null
[]
false
false
false
arxiv_2410.13795
arxiv_2410.13795
Predicting synthesis window of beta-TaON with thermodynamic modeling
Phase-pure synthesis has been a major challenge for metal oxynitrides due to their sensitivity to synthesis conditions and the limited understanding of the underlying thermodynamics. The beta-phase tantalum oxynitride (beta-TaON), a promising material for applications in photocatalysis and energy storage, is particular...
[ "Dmitri LaBelle", "Yong-Jie Hu" ]
[ "cond-mat.mtrl-sci" ]
2024-10-17T17:36:15Z
https://arxiv.org/pdf/2410.13795v1
arxiv
null
null
[]
false
false
false
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