A. Li, Y. Zhang, C. J. Heard, K. Golabek, X. Ju, J. Cejka, and M. Mazur,
Encapsulating Metal Nanoparticles into a Layered Zeolite Precursor with Surface Silanol Nests Enhances Sintering Resistance
layered materials mesoporous materials metal-support interaction rhodium zeolites

DOI, BibTeX

A. Erlebach, P. Nachtigall, and L. Grajciar,
Accurate large-scale simulations of siliceous zeolites by neural network potentials

DOI, BibTeX

D. Hou, and C. J. Heard,
Migration of zeolite-encapsulated Pt and Au under reducing environments

DOI, BibTeX

Z. Zhou, J. He, T. Frauenheim, O. V. Prezhdo, and J. Wang,
Control of Hot Carrier Cooling in Lead Halide Perovskites by Point Defects

DOI, BibTeX

L. Yan, J. Zhu, B.-T. Wang, J. He, H.-Z. Song, W. Chu, S. Tretiak, and L. Zhou,
Two Dimensional MOene: From Superconductors to Direct Semiconductors and Weyl Fermions

DOI, BibTeX

S. Li, L. Zhou, T. Frauenheim, and J. He,
Light-Controlled Ultrafast Magnetic State Transition in Antiferromagnetic–Ferromagnetic van der Waals Heterostructures

DOI, BibTeX

Q.-q. Li, L. Yan, W. Chu, J. He, H. Luo, T. Frauenheim, S. Tretiak, and L. Zhou,
Control of Polaronic Behavior and Carrier Lifetimes via Metal and Anion Alloying in Chalcogenide Perovskites

DOI, BibTeX

J. He, S. Li, L. Zhou, and T. Frauenheim,
Ultrafast Light-Induced Ferromagnetic State in Transition Metal Dichalcogenides Monolayers

DOI, BibTeX

K. Rajput, J. He, T. Frauenheim, and D. R. Roy,
Monolayer PC3: A promising material for environmentally toxic nitrogen-containing multi gases

DOI, BibTeX

M. Jin, M. Liu, P. Nachtigall, L. Grajciar, and C. J. Heard,
Mechanism of Zeolite Hydrolysis under Basic Conditions

DOI, BibTeX

A. Bandyopadhyay, C. Bacaksiz, J. He, and T. Frauenheim,
Tuning Magnetic Anisotropy in Two-Dimensional Metal-Semiconductor Janus van der Waals Heterostructures

DOI, BibTeX

M. Jin, O. Vesely, C. J. Heard, M. Kubu, P. Nachtigall, J. Cejka, and L. Grajciar,
The Role of Water Loading and Germanium Content in Germanosilicate Hydrolysis

DOI, BibTeX

D. Li, S. Li, C. Zhong, and J. He,
Tuning magnetism at the two-dimensional limit: a theoretical perspective

DOI, BibTeX

S. Li, J. He, P. Nachtigall, L. Grajciar, and F. Brivio,
Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide (VS4) nanowires with carriers induces half-metallicity

DOI, BibTeX

K. Ament N. Kowitsch D. Hou T. Gotsch J. Krohnert C. J. Heard A. Trunschke T. Lunkenbein et al.
Nanoparticles Supported on Sub-Nanometer Oxide Films: Scaling Model Systems to Bulk Materials

Angewandte Chemie International Edition, 60(11), 2021

DOI, BibTeX

J. He, S. Li, A. Bandyopadhyay, and T. Frauenheim,
Unravelling Photoinduced Interlayer Spin Transfer Dynamics in Two-Dimensional Nonmagnetic-Ferromagnetic van der Waals Heterostructures

DOI, BibTeX

S. Li, J. He, L. Grajciar, and P. Nachtigall,
Intrinsic Valley Polarization in 2D Magnetic MXenes: Surface Engineering Induced Spin-valley Coupling

DOI, BibTeX

Z. Cao, Y. Xu, P. Lyu, M. Dierks, A. Morales-Garcia, W. Schrader, P. Nachtigall, and F. Schuth,
Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure

DOI, BibTeX

J. He, P. Lyu, and P. Nachtigall,
Two-dimensional tetragonal GaOI and InOI sheets: In-plane anisotropic optical properties and application to photocatalytic water splitting

DOI, BibTeX

M. Liu, O. Vesely, P. Eliasova, M. Shamzhy, P. Lyu, and L. Grajciar,
Identification of the most active sites for tetrahydropyranylation in zeolites: MFI as a test case

DOI, BibTeX

P. Lyu, and P. Nachtigall,
Systematic computational investigation of an Ni3Fe catalyst for the OER

DOI, BibTeX

C. J. Heard, L. Grajciar, F. Uhlik, M. Shamzhy, M. Opanasenko, J. Cejka, and P. Nachtigall,
Zeolite (In)Stability under Aqueous or Steaming Conditions

DOI, BibTeX

M. Opanasenko, M. Shamzhy, Y. Wang, W. Yan, P. Nachtigall, and J. Cejka,
Synthesis and Post-Synthesis Transformation of Germanosilicate Zeolites

DOI, BibTeX

H. A. Abdulhussein, P. Ferrari, J. Vanbuel, C. Heard, A. Fielicke, P. Lievens, E. Janssens, and R. L. Johnston,
Altering CO binding on gold cluster cations by Pd-doping

DOI, BibTeX

P. Xiao, S. Li, C. Yu, Y. Wang, and Y. Xu,
Interface Engineering between the Metal\textendashOrganic Framework Nanocrystal and Graphene toward Ultrahigh Potassium-Ion Storage Performance

DOI, BibTeX

D. Hou, L. Grajciar, P. Nachtigall, and C. J. Heard,
Origin of the Unusual Stability of Zeolite-Encapsulated Sub-Nanometer Platinum

DOI, BibTeX

C. He, R. Wang, D. Xiang, X. Li, L. Fu, Z. Jian, J. Huo, and S. Li,
Charge-regulated CO2 capture capacity of metal atom embedded graphyne: A first-principles study

DOI, BibTeX

C. He, R. Wang, H. Yang, S. Li, and L. Fu,
The growth pattern of Ptn (n=1-6) clusters on pentagonal B2C monolayer support: A computational study
pt cluster penta-bc growth pattern dft-d

DOI, BibTeX

Z. Lu, Y. Cheng, S. Li, Z. Yang, and R. Wu,
CO2 thermoreduction to methanol on the MoS2 supported single Co atom catalyst: A DFT study

DOI, BibTeX

G. Ding, S. Li, and J. He,
Origins of promising thermoelectric performance in quaternary selenide BaAg2SnSe4

DOI, BibTeX

S. Gong, G. Zhao, P. Lyu, and K. Sun,
Insights into the intrinsic capacity of interlayer-expanded MoS2 as a Li-ion intercalation host

DOI, BibTeX

R. Kulkarni, Y. Noda, D. K. Barange, Y. S. Kochergin, P. Lyu, B. Balcarova, P. Nachtigall, and M. J. Bojdys,
Real-time optical and electronic sensing with a pbeta-amino enone linked, triazine-containing 2D covalent organic framework

DOI, BibTeX

M. I. H. Mohideen C. Lei J. Tuček O. Malina F. Brivio V. Kasneryk Z. Huang M. Mazur et al.
Magneto-structural correlations of novel kagomé-type metal organic frameworks

Journal of Materials Chemistry C, 7(22), 2019

DOI, BibTeX

C. J. Heard, L. Grajciar, and P. Nachtigall,
The effect of water on the validity of Löwenstein\textquotesingles rule

DOI, BibTeX

Z. Chen, S. Li, Y. Zhao, M. F. A. Aboud, I. Shakir, and Y. Xu,
Ultrafine FeS2 nanocrystals/porous nitrogen-doped carbon hybrid nanospheres encapsulated in three-dimensional graphene for simultaneous efficient lithium and sodium ion storage

DOI, BibTeX

K. Li, X. Wang, S. Li, P. Urbankowski, J. Li, Y. Xu, and Y. Gogotsi,
An Ultrafast Conducting Polymer@MXene Positive Electrode with High Volumetric Capacitance for Advanced Asymmetric Supercapacitors

DOI, BibTeX

M. Ertl, Z. Ma, T. Thersleff, P. Lyu, S. Huettner, P. Nachtigall, J. Breu, and A. Slabon,
Mössbauerite as Iron-Only Layered Oxyhydroxide Catalyst for WO3 Photoanodes

DOI, BibTeX

C. J. Heard, L. Grajciar, C. M. Rice, S. M. Pugh, P. Nachtigall, S. E. Ashbrook, and R. E. Morris,
Fast room temperature lability of aluminosilicate zeolites

DOI, BibTeX

C. J. Heard, J. Čejka, M. Opanasenko, P. Nachtigall, G. Centi, and S. Perathoner,
2D Oxide Nanomaterials to Address the Energy Transition and Catalysis

DOI, BibTeX

J. Liu, Y. Yang, P. Lyu, P. Nachtigall, and Y. Xu,
Few-Layer Silicene Nanosheets with Superior Lithium-Storage Properties

DOI, BibTeX

M. Mazur A. Arévalo-López P. S. Wheatley G. P. M. Bignami S. E. Ashbrook Á. Morales-García P. Nachtigall J. P. Attfield et al.
Pressure-induced chemistry for the 2D to 3D transformation of zeolites

Journal of Materials Chemistry A, 6(13), 2018

DOI, BibTeX

L. Grajciar, C. J. Heard, A. A. Bondarenko, M. V. Polynski, J. Meeprasert, E. A. Pidko, and P. Nachtigall,
Towards operando computational modeling in heterogeneous catalysis

DOI, BibTeX

J. Liu, P. Lyu, Y. Zhang, P. Nachtigall, and Y. Xu,
New Layered Triazine Framework/Exfoliated 2D Polymer with Superior Sodium-Storage Properties

DOI, BibTeX

J. Čejka, P. Nachtigall, and G. Centi,
New catalytic materials for energy and chemistry in transition

DOI, BibTeX