Mapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Mapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Munhu wose anoziva kuti mvura inowanikwa mumatunhu matatu ekuunganidza. Tinoisa kettle, uye mvura inotanga kufashaira uye kubuda, kutendeuka kubva kune mvura kusvika kune gasi. Tinoiisa mufiriji, uye inotanga kushanduka kuva ice, nokudaro ichifamba kubva mumvura kusvika kune yakasimba. Nekudaro, mune mamwe mamiriro ezvinhu, mhute yemvura iripo mumhepo inogona kubva ipapo kupinda muchikamu chakasimba, ichipfuura chikamu chemvura. Isu tinoziva maitiro aya nemhedzisiro yawo - maitiro akanaka pamahwindo pazuva rinotonhora rechando. Vanofarira mota, kana vachikwenya chando kubva pamhepo, vanowanzo ratidza maitiro aya vachishandisa kwete zvesainzi zvakanyanya, asi zvakanyanya manzwiro uye akajeka epithets. Imwe nzira kana imwe, ruzivo rwekuumbwa kweaizi-mativi maviri akafukidzwa nekuvanzika kwemakore mazhinji. Uye munguva pfupi yapfuura, kekutanga, boka repasi rose revasayendisiti rakakwanisa kuona chimiro cheatomu cheaizi ine mativi maviri pakuumbwa kwayo. Ndezvipi zvakavanzika zvakavanzwa mune izvi zvinoita sezviri nyore kuita, masayendisiti akakwanisa kuzviburitsa, uye zvavakawana zvinobatsira sei? Chirevo cheboka retsvakurudzo chichatiudza pamusoro peizvi. Enda.

Hwaro hwechidzidzo

Kana tikawedzeredza, saka zvinenge zvese zvinhu zvakatikomberedza zvine mativi matatu. Nekudaro, kana tikafunga mamwe acho zvine hungwaru, tinogona zvakare kuwana maviri-dimensional. Chikoko chechando chinoumba pamusoro pechimwe chinhu muenzaniso mukuru weizvi. Kuvapo kwezvivakwa zvakadaro hakusi chakavanzika kunharaunda yesainzi, nekuti yakaongororwa kakawanda. Asi dambudziko nderekuti zvakanyanya kuoma kuona metastable kana yepakati zvimiro zvakabatanidzwa mukuumbwa kwe2D ice. Izvi zvinokonzerwa nezvinetso zvebhanari - fragility uye fragility yezvivakwa zviri kudzidza.

Neraki, nzira dzemazuva ano dzekuongorora dzinobvumira sampuli kuti dziongororwe nekukanganisa kushoma, izvo zvinobvumira kuti data yakawanda iwanikwe munguva pfupi, nekuda kwezvikonzero zviri pamusoro. Muchidzidzo ichi, masayendisiti akashandisa isina-kubata atomic simba microscopy, nemuromo weiyo microscope tsono yakaputirwa necarbon monoxide (CO). Iko kusanganiswa kweaya maturusi ekuvheneka kunoita kuti zvikwanise kuwana chaiyo-nguva mifananidzo yezvimiro zvemaviri-dimensional bilayer hexagonal ice inokura pamusoro pegoridhe (Au) pamusoro.

Microscopy yakaratidza kuti panguva yekuumbwa kweaizi yemativi maviri, mhando mbiri dzemipendero (zvikamu zvinobatanidza vertices mbiri yepolygon) panguva imwe chete inogara muchimiro chayo: zigzag (zigzag) uye yakaita-chair (chairchair).

Mapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura
Armchair (kuruboshwe) uye zigzag (kurudyi) mipendero uchishandisa graphene semuenzaniso.

Panguva ino, masampuli akakurumidza kuomeswa nechando, zvichibvumira chimiro cheatomu kuti chiongororwe zvakadzama. Modelling yakaitwa zvakare, mhedzisiro yacho yakanyanya kuenderana nemhedzisiro yekutarisa.

Yakawanikwa kuti munyaya yekuumbwa kwembabvu dze zigzag, imwe molecule yemvura inowedzerwa kumucheto uripo, uye iyo yose inogadziriswa nekugadzirisa bhiriji. Asi munyaya yekuumbwa kwembabvu dze armchair, hapana mamwe mamorekuru akaonekwa, ayo anopesana zvakasimba nemafungiro echinyakare pamusoro pekukura kweaizi maviri-layer hexagonal ice uye maviri-dimensional hexagonal zvinhu zvakajairika.

Sei vesainzi vakasarudza isiri-contact atomic force microscope yezvavanoona pane kuita scanning tunneling microscope (STM) kana transmission electron maikorosikopu (TEM)? Sezvatinotoziva, sarudzo yakabatana nekuoma kwekudzidza zvimiro zvenguva pfupi uye zvisina kusimba zveairi-dimensional ice. STM yakamboshandiswa kudzidza 2D ice dzakakura panzvimbo dzakasiyana-siyana, asi rudzi urwu rwemicroscope harunzwisisi nzvimbo ye nuclei, uye muromo wayo unogona kukonzera kukanganisa kwekufungidzira. TEM, pane zvinopesana, inonyatsoratidza chimiro cheatomu yembabvu. Zvisineyi, kuwana mifananidzo yemhando yepamusoro kunoda maerekitironi ane simba repamusoro, anogona kushandura zviri nyore kana kutoparadza chimiro chemupendero wezvinhu zvakabatanidzwa zveXNUMXD, tisingarevi mipendero yakasungirirwa muXNUMXD ice.

Atomic force microscope haina zvipingamupinyi zvakadaro, uye CO-yakavharwa tipi inobvumira kudzidza kwemvura yakabatana ine simba shoma pamamorekuru emvura.

Mhedzisiro yekutsvaga

Mapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura
Mufananidzo #1

Aizi yemativi maviri akarimwa pamusoro peAu(111) patembiricha ingangoita 120 K, uye ukobvu hwayo hwaive 2.5 Γ… (1a).

STM mifananidzo yechando (1c) uye inoenderana nekukurumidza Fourier shandura mufananidzo (inset in 1a) ratidza kurongeka kwemakona ane makona akanyatsorongeka neperiodicity yeAu(111)-√3 x √3-30Β°. Kunyangwe iyo cellular H-yakabatana network ye2D ice inoonekwa mumufananidzo weSTM, iyo yakadzama topology yezvimiro zvemupendero yakaoma kuziva. Panguva imwecheteyo, AFM ine frequency shift (Ξ”f) yenzvimbo imwechete yemuenzaniso yakapa mifananidzo iri nani (1d), iyo yakaita kuti zvikwanisike kuona zvigaro-zvakaita uye zvigzag zvikamu zvechimiro. Hurefu hwakazara hwemhando mbiri idzi hunofananidzwa, asi avhareji urefu hwembabvu yakatangira inoreba zvishoma (1b) Mbabvu dzeZigzag dzinogona kukura kusvika 60 Γ… pakureba, asi dzakaita secheya dzinova dzakafukidzwa nezvikanganiso panguva yekuumbwa, izvo zvinodzikisira kureba kwadzo kusvika pa10-30 Γ….

Tevere, yakarongeka AFM imaging yakaitwa pane dzakasiyana tsono urefu (2a).

Mapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura
Mufananidzo #2

Pakureba kwepamusoro-soro, apo chiratidzo cheAFM chinenge chave nesimba repamusoro-soro remagetsi emagetsi, maseti maviri e √3 x √3 pasi pemazaya echando ari maviri-dimensional bilayer ice akaonekwa, imwe yacho inoratidzwa mu. 2a (ruboshwe).

Pazasi petsono dzakakwirira, zvinhu zvinopenya zveiyi subarray zvinotanga kuratidza kutungamira, uye imwe subarray inoshanduka kuita chinhu chakaita V (2a, pakati).

Pakureba kwetsono shoma, AFM inoratidza chimiro chezinga rine mitsetse yakajeka inobatanidza ma sublattice maviri, anoyeuchidza maH-bond (2a, kurudyi).

Density functional theory kuverenga inoratidza kuti maviri-dimensional ice inokura paAu (111) pamusoro inoenderana neyakavharika maviri-layer ice chimiro (2s), inoumbwa nezvikamu zviviri zvakati sandara zvine hexagonal zvemvura. Mahexagoni emapepa maviri akasanganiswa, uye kona iri pakati pemamorekuru emvura mundege i120 Β°.

Muchikamu chega chega chemvura, hafu yemamorekuru emvura inorara yakachinjika (yakafanana neiyo substrate) uye imwe hafu inorara yakatwasuka (perpendicular kune substrate), imwe O-H inongedza kumusoro kana pasi. Mvura yakarara yakatwasuka murumwe rukoko inopa H-bond kumvura yakachinjika mune imwe layer, zvichikonzera chimiro chakazara chakaita H.

AFM simulation uchishandisa quadrupole (dz 2) tip (2b) zvichienderana nemuenzaniso uri pamusoro unobvumirana zvakanaka nemigumisiro yekuedza (2a) Nehurombo, iwo marefu akafanana emvura yakatwasuka uye yakatwasuka anoita kuti kuzivikanwa kwavo kuve kwakaoma panguva yekufungidzira kweSTM. Nekudaro, kana uchishandisa atomic simba microscopy, mamorekuru emarudzi ese emvura anosiyaniswa zvakajeka (2a ΠΈ 2b kurudyi) nekuti iyo yepamusoro dhizaini simba remagetsi rinonzwa zvakanyanya kune kutaridzika kwemamorekuru emvura.

Zvaive zvakare zvichigoneka kuenderera mberi kuona iyo OH kutungamira kwemvura yakachinjika uye yakatwasuka kuburikidza nekudyidzana pakati pepamusoro hurongwa hwemagetsi emagetsi nemauto ePauli anosemesa, sezvinoratidzwa nemitsetse mitsvuku mu. 2a ΠΈ 2b (pakati).

Mapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura
Mufananidzo #3

Mumifananidzo 3a ΠΈ 3b (Stage 1) inoratidza yakawedzera AFM mifananidzo ye zigzag uye armchair fins, zvichiteerana. Yakawanikwa kuti muganhu we zigzag unokura uchichengetedza chimiro chayo chepakutanga, uye nekukura kwechigaro chakaita sechigaro, kumucheto kunodzorerwa mu periodic maitiro e 5756 zvindori, i.e. apo chimiro chembabvu nguva nenguva chinodzokorora kutevedzana pentagon - heptagon - pentagon - hexagon.

Density functional theory kuverenga kunoratidza kuti iyo isina kuvakwa zigzag fin uye 5756 chair fin ndiyo yakagadzikana zvakanyanya. Iyo 5756 mupendero inoumbwa semhedzisiro yezvakasanganiswa mhedzisiro inoderedza huwandu hweunsaturated hydrogen bond uye kuderedza kusimba kwesimba.

Masayendisiti anoyeuka kuti ndege dzepasi dzeaizi ine hexagonal dzinowanzopera muzigzag mbabvu, uye mbabvu dzakaita secheya hadzipo nekuda kwekunyanya kusimba kweunsaturated hydrogen bond. Nekudaro, mune madiki masisitimu kana uko nzvimbo ishoma, zvimbi zvechigaro zvinogona kuderedza simba ravo kuburikidza nekugadzirisa kwakakodzera.

Sezvambotaurwa, apo kukura kweaizi pa120 K kwakamiswa, sampuli yakabva yatonhodzwa kusvika ku5 K kuyedza kuomesa metastable kana shanduko yemupendero zvimiro uye kuve nechokwadi chehupenyu hurefu hwesample yekudzidza zvakadzama uchishandisa STM neAFM. Zvaive zvakare zvichikwanisika kugadzirisazve kukura kwemaitiro maviri-dimensional ice (chifananidzo Nha. 3) nekuda kweCO-functionalized microscope tip, iyo yakaita kuti zvikwanise kuona metastable uye shanduko zvivako.

Panyaya yembabvu dzezigzag, pentagoni imwe neimwe dzimwe nguva yakawanikwa yakasungirirwa kune mbabvu dzakatwasuka. Vaigona mutsara mumutsara, vachigadzira mutsara ne periodicity ye 2 x aice (aice ndiyo latisi isingachinji yeaizi ine mativi maviri). Izvi zvinogona kuratidza kuti kukura kwezigzag edges kunotangwa nekuumbwa kweperiodic array pentagons (3a, nhanho 1-3), iyo inosanganisira kuwedzera maviri emvura pentagon (miseve tsvuku).

Tevere, rondedzero yepentagons yakabatana kugadzira chimiro se56665 (3a, nhanho 4), uyezve inodzoreredza kutaridzika kwekutanga kwezigzag nekuwedzera imwe mhute yemvura.

Nemacheya-akaita mipendero mamiriro acho akasiyana - hapana mitsara yemapentagoni, asi panzvimbo pacho mapfupi mapfupi se5656 pamucheto anowanzo kucherechedzwa. Hurefu hwe 5656 fin ipfupi zvakanyanya pane iyo ye5756. Izvi zvinogoneka nekuti iyo 5656 fin yakasimbiswa zvakanyanya uye haina kugadzikana pane iyo 5756. Kutanga ne5756 chair fin, 575 zvindori zvinoshandurwa munharaunda kuita 656 zvindori nekuwedzera maviri. mhute yemvura (3b, nhanho 2). Zvadaro, zvindori 656 zvinokura munzira yakachinjika, zvichiita mupendero werudzi rwe5656 (3b, nhanho 3), asi nehurefu hushoma nekuda kwekuunganidzwa kwesimba re deformation.

Kana imwe peya yemvura yakawedzerwa kune hexagon ye5656 fin, iyo deformation inogona kuderedzwa zvishoma, uye izvi zvinozotungamira mukuumbwa kwe5756 fin (3b, nhanho 4).

Mhedzisiro dziri pamusoro apa dzinoratidza, asi zvakasarudzwa kuti zvivatsigire nedata rekuwedzera rakatorwa kubva kumamolecular dynamics maverengero emhute yemvura paAu (111) pamusoro.

Zvakaonekwa kuti XNUMXD kaviri-layer ice zvitsuwa zvakaumbwa zvakabudirira uye zvisingadzivirirwe pamusoro, izvo zvinoenderana nekuongorora kwedu kwekuongorora.

Mapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura
Mufananidzo #4

Mumufananidzo 4a Iyo meshini yekubatanidzwa kwekugadzira mabhiriji pazigzag mbabvu inoratidzwa nhanho nhanho.

Pazasi pane zvinyorwa zvenhau pachidzidzo ichi zvine tsananguro.

Zvinyorwa zvenhau NhaMapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Zvakakosha kucherechedza kuti pentagoni imwe yakasungirirwa pamucheto we zigzag haigoni kuita senzvimbo ye nucleation yemunharaunda kukurudzira kukura.

Zvinyorwa zvenhau NhaMapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Pane kudaro, nguva nenguva asi isina kubatanidzwa network yepentagoni inotanga kuumbwa pamucheto we zigzag, uye mamorekuru emvura anotevera anouya pamwe chete anoedza kubatanidza mapentagoni aya, zvichiita kuti pave nekugadzirwa kweketani yemhando ye565. Zvinosuruvarisa, chimiro chakadaro hachina kuonekwa panguva zvinoonekwa zvinoshanda, zvinotsanangura hupenyu hwayo hupfupi kwazvo.

Zvinyorwa zvenhau Nhamba 3 uye NhaMapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Mapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Kuwedzerwa kwepeya imwe yemvura kunobatanidza chimiro chemhando ye565 uye pentagon iri pedyo, zvichiita kuti pave nekuumbwa kwechimiro chemhando ye5666.

Iyo 5666 mhando chimiro chinokura nechemberi kuumba iyo 56665 mhando chimiro uye pakupedzisira inokura kuita yakanyatsobatanidzwa ine hexagonal lattice.

Zvinyorwa zvenhau Nhamba 5 uye NhaMapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Mapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Mumufananidzo 4b kukura kunoratidzwa munyaya yembabvu ye armchair. Shanduko kubva kurudzi 575 mhete kuenda kurudzi 656 mhete dzinotanga kubva pasi pasi, dzichigadzira mubatanidzwa 575/656 chimiro chisingagone kusiyaniswa kubva kumhando ye5756 fin mukuyedza, sezvo chete iyo yepamusoro denga reairi-aviri aizi inogona kufananidzwa. panguva yekuedza.

Zvinyorwa zvenhau NhaMapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Zambuko rinozobuda 656 rinova nzvimbo yekuisa nucleation yekukura kwembabvu 5656.

Zvinyorwa zvenhau NhaMapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Kuwedzera imwe molecule yemvura kune 5656 mupendero inoguma mune yakanyanya kufambisa isina kufambisa molecule chimiro.

Zvinyorwa zvenhau NhaMapeteni pahwindo kana denda revatyairi: sei maviri-dimensional ice inokura

Maviri eaya asina kupetwa mamorekuru emvura anogona kuzobatanidza kuita yakagadzikana heptagonal chimiro, achipedzisa kutendeuka kubva pa5656 kuenda ku5756.

Kuti uwane rumwe ruzivo rwakadzama rwema nuances echidzidzo, ini ndinokurudzira kutarisa mushumo wemasayendisiti.

Epilogue

Mhedziso huru yechidzidzo ichi ndeyekuti maitiro akacherechedzwa ezvimiro panguva yekukura anogona kunge akajairika kune ese marudzi eairi-airi echando. Bilayer hexagonal ice mafomu pane akasiyana hydrophobic nzvimbo uye pasi pe hydrophobic kuvharirwa mamiriro, uye saka inogona kutorwa seyakaparadzana 2D crystal (2D ice I), kuumbwa kwayo kusinganzwisisike kune yepasi chimiro che substrate.

Masayendisiti anotaura nokutendeseka kuti maitiro avo ekufungidzira haasati akakodzera kushanda neaizi-dimensional ice, asi migumisiro yekudzidza maviri-dimensional ice inogona kushanda sehwaro hwekutsanangura maitiro ekugadzirwa kwevolumetric hama. Mune mamwe mazwi, kunzwisisa kuti maviri-dimensional zvimiro anoumba sei hwaro hwakakosha hwekudzidza matatu-dimensional. Nechikonzero ichi kuti vaongorori vanoronga kuvandudza nzira yavo mune ramangwana.

Ndatenda nekuverenga, garai muchida kuziva uye muve nevhiki yakanaka vakomana. πŸ™‚

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Source: www.habr.com

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