Publications

@article{WOS:001094404700001,

title = {Chemical activation of porous carbon extracted from\textit{ biomass} 

 combustion bottom ash for CO2 adsorption},

author = {Mikhail Gorbounov and Emilie Diaz-Vasseur and David Danaci and Salman Masoudi Soltani},

doi = {10.1016/j.ccst.2023.100151},

issn = {2772-6568},

year  = {2024},

date = {2024-03-01},

journal = {CARBON CAPTURE SCIENCE & TECHNOLOGY},

volume = {10},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001157802700001,

title = {Image and data mining in reticular chemistry powered by GPT-4V},

author = {Zhiling Zheng and Zhiguo He and Omar Khattab and Nakul Rampal and Matei A. Zaharia and Christian Borgs and Jennifer T. Chayes and Omar M. Yaghi},

doi = {10.1039/d3dd00239j},

year  = {2024},

date = {2024-02-01},

journal = {DIGITAL DISCOVERY},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001142233100001,

title = {Chemoselectivity Inversion of Responsive Metal-Organic Frameworks by 

 Particle Size Tuning in the Micrometer Regime},

author = {Leila Abylgazina and Irena Senkovska and Richard Engemann and Nadine Boenisch and Tatiana E. Gorelik and Christopher Bachetzky and Ute Kaiser and Eike Brunner and Stefan Kaskel},

doi = {10.1002/smll.202307285},

issn = {1613-6810},

year  = {2024},

date = {2024-01-01},

journal = {SMALL},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001103925000001,

title = {On the shoulders of high-throughput computational screening and machine 

 learning: Design and discovery of MOFs for H2 storage and purification},

author = {Cigdem Altintas and Seda Keskin},

doi = {10.1016/j.mtener.2023.101426},

issn = {2468-6069},

year  = {2023},

date = {2023-12-01},

journal = {MATERIALS TODAY ENERGY},

volume = {38},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001105040900001,

title = {Leveraging Machine Learning for Metal-Organic Frameworks: A Perspective},

author = {Hongjian Tang and Lunbo Duan and Jianwen Jiang},

doi = {10.1021/acs.langmuir.3c01964},

issn = {0743-7463},

year  = {2023},

date = {2023-11-01},

journal = {LANGMUIR},

volume = {39},

number = {45},

pages = {15849-15863},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001096531500001,

title = {Gaussian process regression for prediction of hydrogen adsorption 

 temperature-pressure dependence curves in metal-organic frameworks},

author = {Zijian Cao and Xuanjun Wu and Biyun Tang and Weiquan Cai},

doi = {10.1016/j.cej.2023.146553},

issn = {1385-8947},

year  = {2023},

date = {2023-11-01},

journal = {CHEMICAL ENGINEERING JOURNAL},

volume = {476},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001096874500001,

title = {Integration of Triphenylene-Based Conductive Metal-Organic Frameworks 

 into Carbon Nanotube Electrodes for Boosting Nonenzymatic Glucose 

 Sensing},

author = {Yutong Luo and Leonid Shupletsov and Maria Rita Vega and Adrian Gutierrez-Serpa and Arafat Hossain Khan and Eike Brunner and Irena Senkovska and Stefan Kaskel},

doi = {10.1021/acsami.3c11810},

issn = {1944-8244},

year  = {2023},

date = {2023-10-01},

journal = {ACS APPLIED MATERIALS & INTERFACES},

volume = {15},

number = {44},

pages = {51435-51443},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001125082400001,

title = {Measurement of Physicochemical Properties and CO_{2}, 

 N_{2}, Ar, O_{2}, and H_{2}O Unary Adsorption 

 Isotherms of Purolite A110 and Lewatit VP OC 1065 for Application in 

 Direct Air Capture},

author = {May-Yin Ashlyn Low and David Danaci and Hassan Azzan and Robert T. Woodward and Camille Petit},

doi = {10.1021/acs.jced.3c00401},

issn = {0021-9568},

year  = {2023},

date = {2023-10-01},

journal = {JOURNAL OF CHEMICAL AND ENGINEERING DATA},

volume = {68},

number = {12},

pages = {3499-3511},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001038074000001,

title = {Flexibility in DUT-8(Cu) Metal-Organic Framework: Impact of Cluster, 

 Stress, History, and Hierarchical Texture},

author = {Mariia Maliuta and Irena Senkovska and Vitaliy Romaka and Mariia Roslova and Zhehao Huang and Petko Petkov and Volodymyr Bon and Stefan Kaskel},

doi = {10.31635/ccschem.023.202303056},

year  = {2023},

date = {2023-10-01},

journal = {CCS CHEMISTRY},

volume = {5},

number = {10},

pages = {2225-2236},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000984940300001,

title = {Understanding MOF Flexibility: An Analysis Focused on Pillared Layer 

 MOFs as a Model System},

author = {Irena Senkovska and Volodymyr Bon and Leila Abylgazina and Matthias Mendt and Jan Berger and Gregor Kieslich and Petko Petkov and Jhonatan Luiz Fiorio and Jan-Ole Joswig and Thomas Heine and Larissa Schaper and Christopher Bachetzky and Rochus Schmid and Roland A. A. Fischer and Andreas Poeppl and Eike Brunner and Stefan Kaskel},

doi = {10.1002/anie.202218076},

issn = {1433-7851},

year  = {2023},

date = {2023-08-01},

journal = {ANGEWANDTE CHEMIE-INTERNATIONAL EDITION},

volume = {62},

number = {33},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001046585200001,

title = {Evaluating solid sorbents for CO_{2} capture: linking material 

 properties and process efficiency via adsorption performance},

author = {Paola Saenz A. Cavazos and Elwin Hunter-Sellars and Paul Iacomi and Sean R. McIntyre and David Danaci and Daryl R. Williams},

doi = {10.3389/fenrg.2023.1167043},

issn = {2296-598X},

year  = {2023},

date = {2023-07-01},

journal = {FRONTIERS IN ENERGY RESEARCH},

volume = {11},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001000688100001,

title = {Functional Material Systems Enabled by Automated Data Extraction and 

 Machine Learning},

author = {Payam Kalhor and Nicole Jung and Stefan Braese and Christof Woell and Manuel Tsotsalas and Pascal Friederich},

doi = {10.1002/adfm.202302630},

issn = {1616-301X},

year  = {2023},

date = {2023-06-01},

journal = {ADVANCED FUNCTIONAL MATERIALS},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000967346100001,

title = {Recent advances in computational modeling of MOFs: From molecular 

 simulations to machine learning},

author = {Hakan Demir and Hilal Daglar and Hasan Can Gulbalkan and Gokhan Onder Aksu and Seda Keskin},

doi = {10.1016/j.ccr.2023.215112},

issn = {0010-8545},

year  = {2023},

date = {2023-06-01},

journal = {COORDINATION CHEMISTRY REVIEWS},

volume = {484},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000969236100001,

title = {Defect engineering in MIL-125-(Ti)-NH_{2} for enhanced 

 photocatalytic H_{2} generation},

author = {Ladawan Pukdeejorhor and Suttipong Wannapaiboon and Jan Berger and Katia Rodewald and Sutarat Thongratkaew and Sarawoot Impeng and Julien Warnan and Sareeya Bureekaew and Roland A. Fischer},

doi = {10.1039/d2ta09963b},

issn = {2050-7488},

year  = {2023},

date = {2023-04-01},

journal = {JOURNAL OF MATERIALS CHEMISTRY A},

volume = {11},

number = {16},

pages = {9143-9151},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000948577800001,

title = {Effect of surface functionalization on the moisture stability and 

 sorption properties of porous boron nitride},

author = {Anouk L'Hermitte and Hassan Azzan and Marcus H. N. Yio and Ashwin Kumar Rajagopalan and David Danaci and Takuya Hirosawa and Toshihiro Isobe and Camille Petit},

doi = {10.1016/j.micromeso.2023.112478},

issn = {1387-1811},

year  = {2023},

date = {2023-03-01},

journal = {MICROPOROUS AND MESOPOROUS MATERIALS},

volume = {352},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000914192100001,

title = {An Upper Bound Visualization of Design Trade-Offs in Adsorbent Materials 

 for Gas Separations: CO_{2}, N_{2}, CH_{4}, 

 H_{2}, O_{2}, Xe, Kr, and Ar Adsorbents},

author = {Samuel J. Edens and Michael J. McGrath and Siyu Guo and Zijuan Du and Hemin Zhou and Lingshan Zhong and Zuhao Shi and Jieshuo Wan and Thomas D. Bennett and Ang Qiao and Haizheng Tao and Neng Li and Matthew G. Cowan},

doi = {10.1002/advs.202206437},

year  = {2023},

date = {2023-03-01},

journal = {ADVANCED SCIENCE},

volume = {10},

number = {8},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000929095300001,

title = {Particle size-dependent flexibility in DUT-8(Cu) pillared layer 

 metal-organic framework},

author = {Mariia Maliuta and Irena Senkovska and Ronja Thuemmler and Sebastian Ehrling and Sophi Becker and Vitaliy Romaka and Volodymyr Bon and Jack D. Evans and Stefan Kaskel},

doi = {10.1039/d3dt00085k},

issn = {1477-9226},

year  = {2023},

date = {2023-02-01},

journal = {DALTON TRANSACTIONS},

volume = {52},

number = {9},

pages = {2816-2824},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000911324900001,

title = {MOFX-DB: An Online Database of Computational Adsorption Data for 

 Nanoporous Materials},

author = {N. Scott Bobbitt and Kaihang Shi and Benjamin J. Bucior and Haoyuan Chen and Nathaniel Tracy-Amoroso and Zhao Li and Yangzesheng Sun and Julia H. Merlin and J. Ilja Siepmann and Daniel W. Siderius and Randall Q. Snurr},

doi = {10.1021/acs.jced.2c00583},

issn = {0021-9568},

year  = {2023},

date = {2023-02-01},

journal = {JOURNAL OF CHEMICAL AND ENGINEERING DATA},

volume = {68},

number = {2},

pages = {483-498},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000889417200001,

title = {Materials for a changing planet},

author = {Veronique Van Speybroeck and Guillaume Maurin},

doi = {10.1038/s41563-022-01419-7},

issn = {1476-1122},

year  = {2023},

date = {2023-01-01},

journal = {NATURE MATERIALS},

volume = {22},

number = {1},

pages = {12-13},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000903251600004,

title = {Reduced thermal expansion by surface-mounted nanoparticles in a 

 pillared-layered metal-organic framework},

author = {Jan Berger and Alper-Sedat Doenmez and Aladin Ullrich and Hana Bunzen and Roland A. Fischer and Gregor Kieslich},

doi = {10.1038/s42004-022-00793-2},

issn = {2399-3669},

year  = {2022},

date = {2022-12-01},

journal = {COMMUNICATIONS CHEMISTRY},

volume = {5},

number = {1},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001105874800001,

title = {Brute force determination of the optimum pore sizes for CO_{2} 

 uptake in turbostratic carbons},

author = {L. Scott Blankenship and Nawaf Albeladi and Thria Alkhaldi and Asma Madkhali and Robert Mokaya},

doi = {10.1039/d2ya00149g},

year  = {2022},

date = {2022-12-01},

journal = {ENERGY ADVANCES},

volume = {1},

number = {12},

pages = {1009-1020},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000884844800001,

title = {The Dilemma of Reproducibility of Gating Isotherms for Flexible MOFs},

author = {Ankita De and Mariia Maliuta and Irena Senkovska and Stefan Kaskel},

doi = {10.1021/acs.langmuir.2c01999},

issn = {0743-7463},

year  = {2022},

date = {2022-11-01},

journal = {LANGMUIR},

volume = {38},

number = {46},

pages = {14073-14083},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000877043900001,

title = {Into the Unknown: How Computation Can Help Explore Uncharted Material 

 Space},

author = {Austin M. Mroz and Victor Posligua and Andrew Tarzia and Emma H. Wolpert and Kim E. Jelfs},

doi = {10.1021/jacs.2c06833},

issn = {0002-7863},

year  = {2022},

date = {2022-10-01},

journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},

volume = {144},

number = {41},

pages = {18730-18743},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000831763800001,

title = {Designing Adsorptive Gating via Linker Side-Chain Functionalization in a 

 Honeycomb-MOF},

author = {Jan Berger and Andreas Schneemann and Inke Hante and Yuan Jing and Jack D. Evans and Yuh Hijikata and Jenny Pirillo and Takashi Toyao and Ken-ichi Shimizu and Shin-ichiro Noro and Gregor Kieslich and Roland A. Fischer},

doi = {10.1021/acs.jpcc.2c01979},

issn = {1932-7447},

year  = {2022},

date = {2022-08-01},

journal = {JOURNAL OF PHYSICAL CHEMISTRY C},

volume = {126},

number = {30},

pages = {12755-12764},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000830879800001,

title = {Tunable Confined Aliphatic Pore Environment in Robust Metal-Organic 

 Frameworks for Efficient Separation of Gases with a Similar Structure},

author = {Jingyi Zhou and Tian Ke and Felix Steinke and Norbert Stock and Zhiguo Zhang and Zongbi Bao and Xin He and Qilong Ren and Qiwei Yang},

doi = {10.1021/jacs.2c05448},

issn = {0002-7863},

year  = {2022},

date = {2022-08-01},

journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},

volume = {144},

number = {31},

pages = {14322-14329},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000829577800001,

title = {Experimentally Verified Alkane Adsorption Isotherms in Nanoporous 

 Materials from Literature Meta-Analysis},

author = {Lukas W. Bingel and Krista S. Walton and David S. Sholl},

doi = {10.1021/acs.jced.1c009671757J},

issn = {0021-9568},

year  = {2022},

date = {2022-07-01},

journal = {JOURNAL OF CHEMICAL AND ENGINEERING DATA},

volume = {67},

number = {7},

pages = {1757-1764},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:001091284500001,

title = {Magnesium- and intermetallic alloys-based hydrides for energy storage: 

 modelling, synthesis and properties},

author = {Luca Pasquini and Kouji Sakaki and Etsuo Akiba and Mark D. Allendorf and Ebert Alvares and Jose R. Ares and Dotan Babai and Marcello Baricco and Jose Bellosta Colbe and Matvey Bereznitsky and Craig E. Buckley and Young Whan Cho and Fermin Cuevas and Patricia Rango and Erika Michela Dematteis and Roman V. Denys and Martin Dornheim and J. F. Fernandez and Arif Hariyadi and Bjrn C. Hauback and Tae Wook Heo and Michael Hirscher and Terry D. Humphries and Jacques Huot and Isaac Jacob and Torben R. Jensen and Paul Jerabek and Shin Young Kang and Nathan Keilbart and Hyunjeong Kim and Michel Latroche and F. Leardini and Haiwen Li and Sanliang Ling and Mykhaylo V. Lototskyy and Ryan Mullen and Shin-ichi Orimo and Mark Paskevicius and Claudio Pistidda and Marek Polanski and Julian Puszkiel and Eugen Rabkin and Martin Sahlberg and Sabrina Sartori and Archa Santhosh and Toyoto Sato and Roni Z. Shneck and Magnus H. Sorby and Yuanyuan Shang and Vitalie Stavila and Jin-Yoo Suh and Suwarno Suwarno and Le Thi Thu and Liwen F. Wan and Colin J. Webb and Matthew Witman and ChuBin Wan and Brandon C. Wood and Volodymyr A. Yartys},

doi = {10.1088/2516-1083/ac7190},

year  = {2022},

date = {2022-07-01},

journal = {PROGRESS IN ENERGY},

volume = {4},

number = {3},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000823694600001,

title = {Data-Driven Matching of Experimental Crystal Structures and Gas 

 Adsorption Isotherms of Metal-Organic Frameworks},

author = {Daniele Ongari and Leopold Talirz and Kevin Maik Jablonka and Daniel W. Siderius and Berend Smit},

doi = {10.1021/acs.jced.1c00958},

issn = {0021-9568},

year  = {2022},

date = {2022-07-01},

journal = {JOURNAL OF CHEMICAL AND ENGINEERING DATA},

volume = {67},

number = {7},

pages = {1743-1756},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000778342700001,

title = {Confirmation of pore formation mechanisms in biochars and activated 

 carbons by dual isotherm analysis},

author = {L. Scott Blankenship and Jacek Jagiello and Robert Mokaya},

doi = {10.1039/d2ma00141a},

year  = {2022},

date = {2022-05-01},

journal = {MATERIALS ADVANCES},

volume = {3},

number = {9},

pages = {3961-3971},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000778084100003,

title = {Making the collective knowledge of chemistry open and machine actionable},

author = {Kevin Maik Jablonka and Luc Patiny and Berend Smit},

doi = {10.1038/s41557-022-00910-7},

issn = {1755-4330},

year  = {2022},

date = {2022-04-01},

journal = {NATURE CHEMISTRY},

volume = {14},

number = {4},

pages = {365+},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000826333200001,

title = {Experimentally Verified Alkane Adsorption Isotherms in Nanoporous 

 Materials from Literature Meta-Analysis},

author = {Lukas W. Bingel and Krista S. Walton and David S. Sholl},

doi = {10.1021/acs.jced.1c00967},

issn = {0021-9568},

year  = {2022},

date = {2022-02-01},

journal = {JOURNAL OF CHEMICAL AND ENGINEERING DATA},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000752841700002,

title = {Structural Chemistry of Metal-Organic Frameworks under Hydrostatic 

 Pressures},

author = {Pia Vervoorts and Julia Stebani and Alba S. J. Mendez and Gregor Kieslich},

doi = {10.1021/acsmaterialslett.1c00250},

year  = {2021},

date = {2021-12-01},

journal = {ACS MATERIALS LETTERS},

volume = {3},

number = {12},

pages = {1635-1651},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000696201700001,

title = {Engineering metal-organic frameworks for adsorption-based gas 

 separations: from process to atomic scale},

author = {Marco Taddei and Camille Petit},

doi = {10.1039/d1me00085c},

issn = {2058-9689},

year  = {2021},

date = {2021-11-01},

journal = {MOLECULAR SYSTEMS DESIGN & ENGINEERING},

volume = {6},

number = {11},

pages = {841-875},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000691783400001,

title = {Improving Reproducibility in Hydrogen Storage Material Research},

author = {Darren P. Broom and Michael Hirscher},

doi = {10.1002/cphc.202100508},

issn = {1439-4235},

year  = {2021},

date = {2021-11-01},

journal = {CHEMPHYSCHEM},

volume = {22},

number = {21},

pages = {2141-2157},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000703532600006,

title = {Recommendation System to Predict Missing Adsorption Properties of 

 Nanoporous Materials},

author = {Arni Sturluson and Ali Raza and Grant D. McConachie and Daniel W. Siderius and Xiaoli Z. Fern and Cory M. Simon},

doi = {10.1021/acs.chemmater.1c01201},

issn = {0897-4756},

year  = {2021},

date = {2021-09-01},

journal = {CHEMISTRY OF MATERIALS},

volume = {33},

number = {18},

pages = {7203-7216},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000671615800001,

title = {Alkyl decorated metal-organic frameworks for selective trapping of 

 ethane from ethylene above ambient pressures},

author = {Andreas Schneemann and Yuan Jing and Jack D. Evans and Takashi Toyao and Yuh Hijikata and Yuichi Kamiya and Ken-ichi Shimizu and Nicholas C. Burtch and Shin-ichiro Noro},

doi = {10.1039/d1dt01477c},

issn = {1477-9226},

year  = {2021},

date = {2021-08-01},

journal = {DALTON TRANSACTIONS},

volume = {50},

number = {30},

pages = {10423-10435},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{WOS:000679392400032,

title = {Efficient Capture of Trace Acetylene by an Ultramicroporous 

 Metal-Organic Framework with Purine Binding Sites},

author = {Shivani Sharma and Soumya Mukherjee and Aamod V Desai and Matthias Vandichel and Gourab K. Dam and Ashwini Jadhav and Gabriele Kociok-Kohn and Michael J. Zaworotko and Sujit K. Ghosh},

doi = {10.1021/acs.chemmater.1c01723},

issn = {0897-4756},

year  = {2021},

date = {2021-07-01},

journal = {CHEMISTRY OF MATERIALS},

volume = {33},

number = {14},

pages = {5800-5808},

keywords = {},

pubstate = {published},

tppubtype = {article}

}