Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Peter Bjerre Jensen"'
Autor:
Alexander Kappel Reumert, Agata Bialy, Didier Blanchard, Ulrich Quaade, Peter Bjerre Jensen, Tejs Vegge, Steen Lysgaard
Publikováno v:
Chemistry of Materials. 27:4552-4561
Future energy carriers are needed in order to lower the CO2 emissions resulting from the burning of fossil fuels. One possible energy carrier is ammonia, which can be stored safely and reversibly in metal halide ammines; however, the release often oc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06d2aef9e4e5738e4b490ac8f2e2ad04
https://doi.org/10.1021/acs.chemmater.5b00446
https://doi.org/10.1021/acs.chemmater.5b00446
Publikováno v:
Journal of Solid State Chemistry. 221:32-36
Metal halide ammines are very attractive materials for ammonia absorption and storage—applications where the practically accessible or usable gravimetric and volumetric storage densities are of critical importance. Here we present, that by combinin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::501df60dd301a6dad4d707e559de192c
https://doi.org/10.1016/j.jssc.2014.09.014
https://doi.org/10.1016/j.jssc.2014.09.014
Autor:
Henrik Pedersen, Lars Svejgaard, Knud J. Jensen, Kim Andersen, Nicholas M. Kelly, Peter Bjerre Jensen, Henrik Fuglsang, Thomas Ruhland
Publikováno v:
Journal of Carbohydrate Chemistry. 22:179-184
Combinatorial chemistry allows the synthesis of libraries of compounds by combination of building blocks or by combinatorial elaboration of a central scaffold.1&2 Carbohydrates hold great promise a...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::53d6d634837298f48ca39a1f3d6d82d8
https://doi.org/10.1081/car-120021699
https://doi.org/10.1081/car-120021699
Autor:
Esben L. Kolsbjerg, Thomas Olsen, Ivano E. Castelli, Andrew A. Peterson, Carsten Rostgaard, Joseph Kubal, Jesper Friis, Lasse B. Vilhelmsen, Mikkel Strange, Peter Bjerre Jensen, Jakob Blomqvist, Zhenhua Zeng, Ask Hjorth Larsen, Tristan Maxson, John R. Kitchin, Bjørk Hammer, Marcin Dulak, Kristen Kaasbjerg, Jakob Schiøtz, Michael N. Groves, Rune Christensen, Cory Hargus, Ole Schütt, James R. Kermode, Kristian Sommer Thygesen, Jens Jørgen Mortensen, Michael Walter, Jon Bergmann Maronsson, Tejs Vegge, Steen Lysgaard, Paul C. Jennings, Eric D. Hermes, Karsten Wedel Jacobsen, Lars Pastewka
Publikováno v:
Hjorth Larsen, A, JØrgen Mortensen, J, Blomqvist, J, Castelli, I E, Christensen, R, Dułak, M, Friis, J, Groves, M N, Hammer, B, Hargus, C, Hermes, E D, Jennings, P C, Bjerre Jensen, P, Kermode, J, Kitchin, J R, Leonhard Kolsbjerg, E, Kubal, J, Kaasbjerg, K, Lysgaard, S, Bergmann Maronsson, J, Maxson, T, Olsen, T, Pastewka, L, Peterson, A, Rostgaard, C, Schiøtz, J, Schütt, O, Strange, M, Thygesen, K S, Vegge, T, Vilhelmsen, L, Walter, M, Zeng, Z & Jacobsen, K W 2017, ' The atomic simulation environment-A Python library for working with atoms ', Journal of Physics Condensed Matter, vol. 29, no. 27, 273002 . https://doi.org/10.1088/1361-648X/aa680e
29:273002
Journal of Physics: Condensed Matter
Hjorth Larsen, A, Mortensen, J J, Blomqvist, J, Castelli, I E, Christensen, R, Dulak, M, Friis, J D, Groves, M N, Hammer, B, Hargus, C, Hermes, E D, Jennings, P C, Jensen, P B, Kermode, J, Kitchin, J R, Kolsbjerg, E L, Kubal, J, Kaasbjerg, K, Lysgaard, S, Maronsson, J B, Maxson, T, Olsen, T, Pastewka, L, Peterson, A T, Rostgaard, C, Schiotz, J, Schutt, O, Strange, M, Thygesen, K S, Vegge, T, Vilhelmsen, L, Walter, M, Zeng, Z & Jacobsen, K W 2017, ' The atomic simulation environment-a Python library for working with atoms ', Journal of Physics: Condensed Matter, vol. 29, no. 27, 273002 . https://doi.org/10.1088/1361-648X/aa680e
Larsen, A H, Mortensen, J J, Blomqvist, J, Castelli, I E, Christensen, R, Dulak, M, Friis, J, Groves, M, Hammer, B, Hargus, C, Hermes, E, C. Jennings, P, Jensen, P B, Kermode, J, Kitchin, J, Kolsbjerg, E, Kubal, J, Kaasbjerg, K, Lysgaard, S, Maronsson, J B, Maxson, T, Olsen, T, Pastewka, L, Peterson, A, Rostgaard, C, Schiøtz, J, Schütt, O, Strange, M, Thygesen, K S, Vegge, T, Vilhelmsen, L, Walter, M, Zeng, Z & Jacobsen, K W 2017, ' The Atomic Simulation Environment-A Python library for working with atoms ', Journal of Physics Condensed Matter, vol. 29, 273002 . https://doi.org/10.1088/1361-648X/aa680e
29:273002
Journal of Physics: Condensed Matter
Hjorth Larsen, A, Mortensen, J J, Blomqvist, J, Castelli, I E, Christensen, R, Dulak, M, Friis, J D, Groves, M N, Hammer, B, Hargus, C, Hermes, E D, Jennings, P C, Jensen, P B, Kermode, J, Kitchin, J R, Kolsbjerg, E L, Kubal, J, Kaasbjerg, K, Lysgaard, S, Maronsson, J B, Maxson, T, Olsen, T, Pastewka, L, Peterson, A T, Rostgaard, C, Schiotz, J, Schutt, O, Strange, M, Thygesen, K S, Vegge, T, Vilhelmsen, L, Walter, M, Zeng, Z & Jacobsen, K W 2017, ' The atomic simulation environment-a Python library for working with atoms ', Journal of Physics: Condensed Matter, vol. 29, no. 27, 273002 . https://doi.org/10.1088/1361-648X/aa680e
Larsen, A H, Mortensen, J J, Blomqvist, J, Castelli, I E, Christensen, R, Dulak, M, Friis, J, Groves, M, Hammer, B, Hargus, C, Hermes, E, C. Jennings, P, Jensen, P B, Kermode, J, Kitchin, J, Kolsbjerg, E, Kubal, J, Kaasbjerg, K, Lysgaard, S, Maronsson, J B, Maxson, T, Olsen, T, Pastewka, L, Peterson, A, Rostgaard, C, Schiøtz, J, Schütt, O, Strange, M, Thygesen, K S, Vegge, T, Vilhelmsen, L, Walter, M, Zeng, Z & Jacobsen, K W 2017, ' The Atomic Simulation Environment-A Python library for working with atoms ', Journal of Physics Condensed Matter, vol. 29, 273002 . https://doi.org/10.1088/1361-648X/aa680e
The Atomic Simulation Environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simula- tions. In ASE, tasks are fully scripted in Python. The powerful syntax of P
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::46c0ac859c5925a8a1c7d000054ffd5b
https://doi.org/10.1088/1361-648x/aa680e
https://doi.org/10.1088/1361-648x/aa680e
Publikováno v:
Jensen, P B, Lysgaard, S, Quaade, U J & Vegge, T 2014, ' Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms ', Physical Chemistry Chemical Physics, vol. 16, pp. 19732-19740 . https://doi.org/10.1039/C4CP03133D
Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a mul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::59ddcf84a31bb4500898a640f7ba3810
https://orbit.dtu.dk/en/publications/d6c76470-b2af-463c-b44f-4a75eb19a6f8
https://orbit.dtu.dk/en/publications/d6c76470-b2af-463c-b44f-4a75eb19a6f8
Publikováno v:
Technical University of Denmark Orbit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::5fd9fb2a9d87081968b4e3ad55c8467d
https://orbit.dtu.dk/en/publications/a50f0ae3-d177-41b3-a747-0f795cb71f7f
https://orbit.dtu.dk/en/publications/a50f0ae3-d177-41b3-a747-0f795cb71f7f
Publikováno v:
Scopus-Elsevier
The structural transformations occurring in the crystal structure of strontium chloride octamine, Sr(NH3)8Cl2, as a function of temperature and pressure of ammonia gas were studied by detailed in situ X-ray powder diffraction (XRPD) and supported by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::72183a983f96fa482c0ecfb069a53bbe
http://www.scopus.com/inward/record.url?eid=2-s2.0-84949116387&partnerID=MN8TOARS
http://www.scopus.com/inward/record.url?eid=2-s2.0-84949116387&partnerID=MN8TOARS
Publikováno v:
Technical University of Denmark Orbit
Jensen, P B, Lysgaard, S, Quaade, U & Vegge, T 2013, ' Computational screening of mixed metal halide ammines ', ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol. 245, 122-COMP .
Jensen, P B, Lysgaard, S, Quaade, U & Vegge, T 2013, ' Computational screening of mixed metal halide ammines ', ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol. 245, 122-COMP .
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::0fedbb406111b7977e7314a0c87cd41e
https://orbit.dtu.dk/en/publications/ba262638-3dc2-4e16-8f5e-3ae8e3bff103
https://orbit.dtu.dk/en/publications/ba262638-3dc2-4e16-8f5e-3ae8e3bff103
Publikováno v:
Technical University of Denmark Orbit
Jensen, P B, Lysgaard, S, Quaade, U J & Vegge, T 2014, ' Designing New Materials for Ammonia Storage Using Density Functional Theory and Genetic Algorithms ', International Discussion on Hydrogen Energy and Applications, Nantes, France, 12/05/2014-14/05/2014 .
Jensen, P B, Lysgaard, S, Quaade, U J & Vegge, T 2014, ' Designing New Materials for Ammonia Storage Using Density Functional Theory and Genetic Algorithms ', International Discussion on Hydrogen Energy and Applications, Nantes, France, 12/05/2014-14/05/2014 .
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::a279461ca17d0c5db8ba49ef6136468e
https://orbit.dtu.dk/en/publications/b21c4420-829d-43c0-9fee-593a4e899164
https://orbit.dtu.dk/en/publications/b21c4420-829d-43c0-9fee-593a4e899164
Autor:
Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, Ivano E Castelli, Rune Christensen, Marcin Dułak, Jesper Friis, Michael N Groves, Bjørk Hammer, Cory Hargus, Eric D Hermes, Paul C Jennings, Peter Bjerre Jensen, James Kermode, John R Kitchin, Esben Leonhard Kolsbjerg, Joseph Kubal, Kristen Kaasbjerg, Steen Lysgaard, Jón Bergmann Maronsson
Publikováno v:
Journal of Physics: Condensed Matter; 7/12/2017, Vol. 29 Issue 27, p1-1, 1p