{"id":1958,"date":"2025-03-31T13:11:22","date_gmt":"2025-03-31T04:11:22","guid":{"rendered":"https:\/\/supraceramics.jp\/?p=1958"},"modified":"2025-03-31T13:11:22","modified_gmt":"2025-03-31T04:11:22","slug":"publication-j-am-chem-soc-masubuchi-hongo-maezono-kageyama-et-al-hand-milling-induced-phase-transition-for-marcasite-type-carbodiimide","status":"publish","type":"post","link":"https:\/\/supraceramics.jp\/en\/2025\/03\/1958\/","title":{"rendered":"Publication | J. Am. Chem. Soc. (Masubuchi, Hongo, Maezono, Kageyama, et al.) \u201cHand milling induced phase transition for marcasite-type carbodiimide\u201d"},"content":{"rendered":"<p>Hand milling induced phase transition for marcasite-type carbodiimide<\/p>\n<p>Yuzuki Yamamoto, Kazuki Kume, Suzuka Miyazaki, Ayako Shinozaki, Peng Song, Sayed Sahriar Hasan, Kenta Hongo, Ryo Maezono, Hiroki Ubukata, Hiroshi Kageyama, Mikio Higuchi, Yuji Masubuchi<\/p>\n<p>While high-pressure phase transitions have been widely studied in inorganic compounds such as oxides and chalcogenides, relatively little attention has been given to compounds containing molecular anions, such as carbodiimides and cyanamides. This study investigates the phase transition of marcasite-type orthorhombic Ba0.9M0.1NCN carbodiimides, where a transformation to a CsCl-type tetragonal phase was observed at room temperature under hydrostatic pressure of 0.8 GPa (M = Ca) and 0.3 GPa (M = Sr). This transition, accompanied by an increase in the metal coordination under from 6 to 8, occurs at pressures significantly lower than those required for the high-pressure phase transitions of rock-salt-type metal halides and marcasite-type metal diantimonides. Remarkably, partial phase transitions were also induced by hand milling, a process that applies localized shear forces, distinct from the particle-crushing effects of high-energy ball milling. The transition mechanism, analyzed via variable-cell nudged elastic band (VCNEB) calculations, revealed that while the linear NCN2\u2013 anions remain stable, the shear-sliding of Ba2+ cations and the rotation of NCN2\u2013 anions are critical to the structural transformation. These findings underscore the potential of hand milling to effectively induce phase transitions in compounds containing linear molecular anions, offering new strategies for predicting and controlling such transitions in similar materials.<\/p>\n<p><\/a><br \/>\n<a href=\" https:\/\/pubs.acs.org\/doi\/10.1021\/jacs.5c00962\"><br \/>\n<em>J. Am. Chem. Soc.<\/em>, in press. (DOI: 10.1021\/jacs.5c00962)<br \/>\n<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Hand milling induced phase transition for marcasite-type carbodiimide Yuzuki Yamamoto, Kazuki Kume, Suzuka Miyazaki, Ayako Shinozaki, Peng Song, Sayed Sahriar Hasan, Kenta Hongo, Ryo Maezono, Hiroki Ubukata, Hiroshi Kageyama, Mikio Higuchi, Yuji Masubuchi While high-pressure phase transitions have been widely studied in inorganic compounds such as oxides and chalcogenides, relatively little attention has been given [&hellip;]<\/p>\n","protected":false},"author":222414606,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"advanced_seo_description":"","jetpack_seo_html_title":"","jetpack_seo_noindex":false,"jetpack_seo_schema_type":"","_themeisle_gutenberg_block_has_review":false,"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_locale":"en_US","_original_post":"https:\/\/supraceramics.jp\/?p=1956","_wpcom_ai_launchpad_first_post":false,"_jetpack_feature_clip_id":0,"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":true,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2},"jetpack_post_was_ever_published":false},"categories":[124830],"tags":[],"class_list":["post-1958","post","type-post","status-publish","format-standard","hentry","category-news","en-US"],"jetpack_publicize_connections":[],"jetpack_shortlink":"https:\/\/wp.me\/pe2JgX-vA","jetpack-related-posts":[{"id":1956,"url":"https:\/\/supraceramics.jp\/2025\/03\/1956\/","url_meta":{"origin":1958,"position":0},"title":"Publication | J. Am. Chem. Soc. (Masubuchi, Hongo, Maezono, Kageyama, et al.) \u201cHand milling induced phase transition for marcasite-type carbodiimide\u201d","author":"shorike","date":"2025\u5e743\u670831\u65e5","format":false,"excerpt":"\u5171\u540c\u7814\u7a76\u6210\u679c\uff1a\u30de\u30eb\u30ab\u30b5\u30a4\u30c8\u578b\u30ab\u30eb\u30dc\u30b8\u30a4\u30df\u30c9\u306b\u304a\u3051\u308b\u624b\u7c89\u7815\u8a98\u8d77\u306e\u76f8\u8ee2\u79fb\uff08A03\u9c52\u6e15\u3001A03\u672c\u90f7\u3001B02\u524d\u5712\u3001A01\u9670\u5c71\uff09 Hand milling induced phase transition for marcasite-type carbodiimide Yuzuki Yamamoto, Kazuki Kume, Suzuka Miyazaki, Ayako Shinozaki, Peng Song, Sayed Sahriar Hasan, Kenta Hongo, Ryo Maezono, Hiroki Ubukata, Hiroshi Kageyama, Mikio Higuchi, Yuji Masubuchi \u672c\u7814\u7a76\u3067\u306f\u3001\u70ad\u7d20\u3068\u7a92\u7d20\u304b\u3089\u306a\u308b\u30ab\u30eb\u30dc\u30b8\u30a4\u30df\u30c9\u30a4\u30aa\u30f3(NCN2\u2212)\u3092\u542b\u3080\u5316\u5408\u7269Ba0.9Sr0.1NCN\u304c\u30010.3GPa\u7a0b\u5ea6\u306e\u5727\u529b\u3067\u76f8\u8ee2\u79fb\u3059\u308b\u3053\u3068\u3092\u30c0\u30a4\u30e4\u30e2\u30f3\u30c9\u30a2\u30f3\u30d3\u30eb\u30bb\u30eb\u3092\u7528\u3044\u305f\u9759\u6c34\u5727\u5b9f\u9a13\u306b\u3088\u3063\u3066\u898b\u51fa\u3057\u307e\u3057\u305f\u3002\u3053\u306e\u5727\u529b\u306f\u95a2\u9023\u3059\u308b\u9178\u5316\u7269\u3084\u786b\u5316\u7269\u306a\u3069\u306e\u5358\u539f\u5b50\u30a2\u30cb\u30aa\u30f3\u5316\u5408\u7269\u306e\u76f8\u8ee2\u79fb\u5727\u529b\u3088\u308a\u30821\u6841\u5c0f\u3055\u3044\u5024\u3067\u3059\u3002\u3055\u3089\u306b\u540c\u3058\u76f8\u8ee2\u79fb\u304c\u4e73\u9262\u3068\u4e73\u68d2\u3092\u7528\u3044\u305f\u624b\u7c89\u7815\u3067\u3082\u751f\u3058\u308b\u3053\u3068\u3001Eu2\uff0b\u3092\u6dfb\u52a0\u3057\u305f\u8a66\u6599\u306f\u76f8\u8ee2\u79fb\u3067\u8d64\u8272\u86cd\u5149\u4f53\u306b\u5909\u5316\u3059\u308b\u3053\u3068\u3092\u5b9f\u8a3c\u3057\u307e\u3057\u305f\u3002\u307e\u305f\u3001VCNEB\u6cd5\u3092\u7528\u3044\u305f\u8a08\u7b97\u79d1\u5b66\u624b\u6cd5\u306b\u3088\u3063\u3066\u3001\u69cb\u9020\u76f8\u8ee2\u79fb\u306b\u3088\u3063\u3066\u539f\u5b50\u304c\u4e92\u3044\u306b\u3059\u3079\u308b\u3088\u3046\u5909\u4f4d\u3059\u308b\u3053\u3068\u3092\u660e\u3089\u304b\u306b\u3057\u3001Ba0.9Sr0.1NCN\u306e\u305b\u3093\u65ad\u5fdc\u529b\u306b\u3088\u3063\u3066\u201c\u305a\u308c\u3084\u3059\u3044\u201d\u7279\u5fb4\u304c\u3001\u624b\u7c89\u7815\u306b\u3088\u308b\u69cb\u9020\u76f8\u8ee2\u79fb\u306b\u95a2\u4fc2\u3059\u308b\u3053\u3068\u3092\u5831\u544a\u3057\u307e\u3057\u305f\u3002\u672c\u7814\u7a76\u306f\u3001\u30ab\u30eb\u30dc\u30b8\u30a4\u30df\u30c9\u5316\u5408\u7269\u306b\u304a\u3044\u3066\u3001\u5727\u529b\u3084\u5fdc\u529b\u3067\u5149\u5b66\u7279\u6027\u3084\u96fb\u78c1\u6c17\u7279\u6027\u304c\u5909\u5316\u3059\u308b\u65b0\u3057\u3044\u201c\u8d85\u30bb\u30e9\u30df\u30c3\u30af\u30b9\u201d\u306e\u958b\u767a\u306b\u3064\u306a\u304c\u308b\u3053\u3068\u304c\u671f\u5f85\u3067\u304d\u307e\u3059\u3002 J. Am. Chem. Soc., in press. (DOI: 10.1021\/jacs.5c00962)","rel":"","context":"In &quot;News&quot;","block_context":{"text":"News","link":"https:\/\/supraceramics.jp\/en\/category\/news\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":1850,"url":"https:\/\/supraceramics.jp\/en\/2024\/08\/1850\/","url_meta":{"origin":1958,"position":1},"title":"Publication | Inorg. Chem. (Katagiri, Sugimoto, Motohashi et al.) \u201cMechanistic Insights on the Formation of a Carbodiimide Ion from Urea in La2O2NCN Synthesis Based on the \u201cProanion\u201d Strategy\u201d","author":"shorike","date":"2024\u5e748\u67088\u65e5","format":false,"excerpt":"Mechanistic Insights on the Formation of a Carbodiimide Ion from Urea in La2O2NCN Synthesis Based on the \u201cProanion\u201d Strategy Oomi Sumioka, Naoki Tarutani, Kiyofumi Katagiri, Kei Inumaru, Zi Lang Goo, Kunihisa Sugimoto, Yusuke Asai, Miwa Saito, and Teruki Motohashi This study affords mechanistic insights into the formation mechanism of carbodiimide\u2026","rel":"","context":"In &quot;News&quot;","block_context":{"text":"News","link":"https:\/\/supraceramics.jp\/en\/category\/news\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":2312,"url":"https:\/\/supraceramics.jp\/en\/2026\/02\/2312\/","url_meta":{"origin":1958,"position":2},"title":"Publication | Chem. Mater. (Motohashi, Sugimoto, et al.) \u201cUnconventional Oxygen Storage\/Release Properties of Melilite-Type Ba2MnGe2O7+\u03b4 Associated with Complex Structural Transformation\u201d","author":"shorike","date":"2026\u5e742\u670816\u65e5","format":false,"excerpt":"Unconventional Oxygen Storage\/Release Properties of Melilite-Type Ba2MnGe2O7+\uf064 Associated with Complex Structural Transformation Kosaku Ohishi, Satoshi Ogawa, Hisanori Yamane, Saburo Hosokawa, Zi Lang Goo, Kunihisa Sugimoto, Miwa Saito, Teruki Motohashi Here, we report the synthesis and characterization of melilite-type A2MnC2O7 (A = Sr, Ba; C = Si, Ge) and the discovery\u2026","rel":"","context":"In &quot;News&quot;","block_context":{"text":"News","link":"https:\/\/supraceramics.jp\/en\/category\/news\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":2056,"url":"https:\/\/supraceramics.jp\/en\/2025\/06\/2056\/","url_meta":{"origin":1958,"position":3},"title":"Publication | J. Mater. Chem. A (Motohashi, Kageyama, Takeiri et al.) \u201cThermally stable proton-conducting oxy-hydroxides synthesized in concentrated water vapor\u201d","author":"shorike","date":"2025\u5e746\u670810\u65e5","format":false,"excerpt":"Thermally stable proton-conducting oxy-hydroxides synthesized in concentrated water vapor Kenji Arai, Yoko Kokubo, Yusuke Asai, Satoshi Ogawa, *Miwa Saito, Maria Kirsanova, Iaroslava Shakhova, Artem Abakumov, Fumitaka Takeiri, Hiroshi Kageyama, *Teruki Motohashi The diverse functionalities of (oxy-)hydroxides, such as electrocatalytic activity of transition-metal oxy-hydroxides in the oxygen evolution reaction (OER) and\u2026","rel":"","context":"In &quot;News&quot;","block_context":{"text":"News","link":"https:\/\/supraceramics.jp\/en\/category\/news\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":2238,"url":"https:\/\/supraceramics.jp\/en\/2025\/12\/2238\/","url_meta":{"origin":1958,"position":4},"title":"Symposium in Pacifichem 2025, 12\/17 (Wed)","author":"shorike","date":"2025\u5e7412\u67083\u65e5","format":false,"excerpt":"Pacifichem 2025 ~Inorganic Materials with Multiple Components for Energy and Environmental Applications\uff08ING016\uff09~ 12\/17 (Wed), 2025 Hilton Hawaiian Village Organizers: Ryo Ohtani, Jeongsuk Seo, Lianzhou Wang,\u00a0Kazuhiko Maeda \u00a0 Program: 8:00\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 ~Opening Remarks~ 8:05\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Solution Chemistry Engineering for Efficient Kesterite Solar Cells and Modules Xin, Hao (Nanjing University of Posts and Telecommunications)\u2026","rel":"","context":"In &quot;News&quot;","block_context":{"text":"News","link":"https:\/\/supraceramics.jp\/en\/category\/news\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":2232,"url":"https:\/\/supraceramics.jp\/2025\/12\/2232\/","url_meta":{"origin":1958,"position":5},"title":"Symposium in Pacifichem 2025, 12\/17 (Wed)","author":"shorike","date":"2025\u5e7412\u67083\u65e5","format":false,"excerpt":"Pacifichem 2025 ~Inorganic Materials with Multiple Components for Energy and Environmental Applications\uff08ING016\uff09~ 12\/17 (Wed), 2025 Hilton Hawaiian Village Organizers: Ryo Ohtani, Jeongsuk Seo, Lianzhou Wang,\u00a0Kazuhiko Maeda \u00a0 Program: 8:00\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 ~Opening Remarks~ 8:05\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Solution Chemistry Engineering for Efficient Kesterite Solar Cells and Modules Xin, Hao (Nanjing University of Posts and Telecommunications)\u2026","rel":"","context":"In &quot;News&quot;","block_context":{"text":"News","link":"https:\/\/supraceramics.jp\/en\/category\/news\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]}],"jetpack_sharing_enabled":true,"jetpack_featured_media_url":"","_links":{"self":[{"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/posts\/1958","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/users\/222414606"}],"replies":[{"embeddable":true,"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/comments?post=1958"}],"version-history":[{"count":1,"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/posts\/1958\/revisions"}],"predecessor-version":[{"id":1959,"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/posts\/1958\/revisions\/1959"}],"wp:attachment":[{"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/media?parent=1958"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/categories?post=1958"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/supraceramics.jp\/wp-json\/wp\/v2\/tags?post=1958"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}