Journal Articles by P. Lyu
D. Fan,
K. Zheng,
H. Li,
J. He and
P. Lyu
Machine learning augmented design of 2D magnet with planar cyclo-tetranitrogen: ambient thermal stability from quantum to mesoscale
Machine learning augmented design of 2D magnet with planar cyclo-tetranitrogen: ambient thermal stability from quantum to mesoscale
npj Computational Materials,
11(1),
2025
Z. Cao,
Y. Xu,
P. Lyu,
M. Dierks,
Á. Morales-García,
W. Schrader,
P. Nachtigall and
F. Schüth
Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure
Wiley, 2020
Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure
Wiley, 2020
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
Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure
ChemSusChem,
14(1),
2020
M. Liu,
O. Veselý,
P. Eliášová,
M. Shamzhy,
P. Lyu and
L. Grajciar
Identification of the most active sites for tetrahydropyranylation in zeolites: MFI as a test case
Elsevier BV, 2020
Identification of the most active sites for tetrahydropyranylation in zeolites: MFI as a test case
Elsevier BV, 2020
P. Lyu and
P. Nachtigall
Systematic computational investigation of an Ni3Fe catalyst for the OER
Elsevier BV, 2020
Systematic computational investigation of an Ni3Fe catalyst for the OER
Elsevier BV, 2020
M. Liu,
O. Veselý,
P. Eliášová,
M. Shamzhy,
P. Lyu and
L. Grajciar
Identification of the most active sites for tetrahydropyranylation in zeolites: MFI as a test case
Elsevier BV, 2020
Identification of the most active sites for tetrahydropyranylation in zeolites: MFI as a test case
Elsevier BV, 2020
P. Lyu and
P. Nachtigall
Systematic computational investigation of an Ni3Fe catalyst for the OER
Systematic computational investigation of an Ni3Fe catalyst for the OER
Catalysis Today,
345,
2020
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
Identification of the most active sites for tetrahydropyranylation in zeolites: MFI as a test case
Catalysis Today,
345,
2020
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
Two-dimensional tetragonal GaOI and InOI sheets: In-plane anisotropic optical properties and application to photocatalytic water splitting
Catalysis Today,
340,
2020
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
Two-dimensional tetragonal GaOI and InOI sheets: In-plane anisotropic optical properties and application to photocatalytic water splitting
Catalysis Today,
340,
2020
P. Lyu,
M. Ertl,
C. J. Heard,
L. Grajciar,
A. Radha,
T. Martin,
J. Breu and
P. Nachtigall
Structure Determination of the Oxygen Evolution Catalyst Mössbauerite
Structure Determination of the Oxygen Evolution Catalyst Mössbauerite
The Journal of Physical Chemistry C,
123(41),
2019
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
Real-time optical and electronic sensing with a pbeta-amino enone linked, triazine-containing 2D covalent organic framework
Nature Communications,
10(1),
2019
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
Mössbauerite as Iron-Only Layered Oxyhydroxide Catalyst for WO3 Photoanodes
Inorganic Chemistry,
58(15),
2019
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
Mössbauerite as Iron-Only Layered Oxyhydroxide Catalyst for WO3 Photoanodes
Inorganic Chemistry,
2019
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
Real-time optical and electronic sensing with a pbeta-amino enone linked, triazine-containing 2D covalent organic framework
Nature Communications,
10(1),
2019
S. Gong,
G. Zhao,
P. Lyu and
K. Sun
Insights into the intrinsic capacity of interlayer-expanded MoS2 as a Li-ion intercalation host
Insights into the intrinsic capacity of interlayer-expanded MoS2 as a Li-ion intercalation host
Journal of Materials Chemistry A,
7(3),
2019
D. Schwarz,
A. Acharjya,
A. Ichangi,
Y. S. Kochergin,
P. Lyu,
M. V. Opanasenko,
J. Tarábek,
J. V. Chocholoušová
et al.
Tuning the Porosity and Photocatalytic Performance of Triazine-Based Graphdiyne Polymers through Polymorphism
Tuning the Porosity and Photocatalytic Performance of Triazine-Based Graphdiyne Polymers through Polymorphism
ChemSusChem,
12(1),
2018
Dr. D. Schwarz,
A. Acharja,
A. Ichangi,
P. Lyu,
Dr. M. V. Opanasenko,
F. R. Goßler,
T. A. F. König,
P. D. J. Čejka
et al.
Fluorescent Sulphur- and Nitrogen-Containing Porous Polymers with Tuneable Donor-Acceptor Domains for Light-Driven Hydrogen Evolution
Fluorescent Sulphur- and Nitrogen-Containing Porous Polymers with Tuneable Donor-Acceptor Domains for Light-Driven Hydrogen Evolution
Chemistry - A European Journal,
24(46),
2018
J. Liu,
Y. Yang,
P. Lyu,
P. Nachtigall and
Y. Xu
Few-Layer Silicene Nanosheets with Superior Lithium-Storage Properties
Few-Layer Silicene Nanosheets with Superior Lithium-Storage Properties
Advanced Materials,
30(26),
2018
J. Liu,
P. Lyu,
Y. Zhang,
P. Nachtigall and
Y. Xu
New Layered Triazine Framework/Exfoliated 2D Polymer with Superior Sodium-Storage Properties
New Layered Triazine Framework/Exfoliated 2D Polymer with Superior Sodium-Storage Properties
Advanced Materials,
30(11),
2018
Á. Morales-García,
J. He,
P. Lyu and
P. Nachtigall
Exploring the stability and reactivity of Ni2P and Mo2C catalysts using ab initio atomistic thermodynamics and conceptual DFT approaches
Exploring the stability and reactivity of Ni2P and Mo2C catalysts using ab initio atomistic thermodynamics and conceptual DFT approaches
Biomass Conversion and Biorefinery,
7(3),
2017
J. Engelhardt,
P. Lyu,
P. Nachtigall,
F. Schüth and
á. M. García
The Influence of Water on the Performance of Molybdenum Carbide Catalysts in Hydrodeoxygenation Reactions: A Combined Theoretical and Experimental Study
The Influence of Water on the Performance of Molybdenum Carbide Catalysts in Hydrodeoxygenation Reactions: A Combined Theoretical and Experimental Study
ChemCatChem,
9(11),
2017
J. Engelhardt,
P. Lyu,
P. Nachtigall,
F. Schüth and
Á. M. García
The Influence of Water on the Performance of Molybdenum Carbide Catalysts in Hydrodeoxygenation Reactions: A Combined Theoretical and Experimental Study
The Influence of Water on the Performance of Molybdenum Carbide Catalysts in Hydrodeoxygenation Reactions: A Combined Theoretical and Experimental Study
ChemCatChem,
9(11),
2017
J. He,
X. Li,
P. Lyu and
P. Nachtigall
Near-room-temperature Chern insulator and Dirac spin-gapless semiconductor: nickel chloride monolayer
Near-room-temperature Chern insulator and Dirac spin-gapless semiconductor: nickel chloride monolayer
Nanoscale,
9(6),
2017
P. Lyu,
J. He and
P. Nachtigall
Theoretical investigation of CO catalytic oxidation by a Fe–PtSe 2 monolayer
Theoretical investigation of CO catalytic oxidation by a Fe–PtSe 2 monolayer
RSC Advances,
7(32),
2017
J. He,
X. Li,
P. Lyu and
P. Nachtigall
Near-room-temperature Chern insulator and Dirac spin-gapless semiconductor: nickel chloride monolayer
Near-room-temperature Chern insulator and Dirac spin-gapless semiconductor: nickel chloride monolayer
Nanoscale,
9(6),
2017
J. He,
P. Lyu,
L. Z. Sun,
A. M. García and
P. Nachtigall
High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes
High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes
J. Mater. Chem. C,
4,
2016
J. He,
P. Lyu,
L. Z. Sun,
Á. M. García and
P. Nachtigall
High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes
High temperature spin-polarized semiconductivity with zero magnetization in two-dimensional Janus MXenes
Journal of Materials Chemistry C,
4(27),
2016
J. He,
S. Ma,
P. Lyu and
P. Nachtigall
Unusual Dirac half-metallicity with intrinsic ferromagnetism in vanadium trihalide monolayers
Unusual Dirac half-metallicity with intrinsic ferromagnetism in vanadium trihalide monolayers
Journal of Materials Chemistry C,
4(13),
2016
J. He,
P. Lyu and
P. Nachtigall
New two-dimensional Mn-based MXenes with room-temperature ferromagnetism and half-metallicity
New two-dimensional Mn-based MXenes with room-temperature ferromagnetism and half-metallicity
Journal of Materials Chemistry C,
4(47),
2016